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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/Student_Researcher-7974c31f/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Student_Researcher-7974c31f/inputs/seq.fa: 2
curr_seq: _GAUAAUCUCUGGCAUUGUA_
curr_seq: _UACAAUGCCAGAGAUUAUCug_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GAUAAUCUCUGGCAUUGUA
chainId: B, chainSeq: UACAAUGCCAGAGAUUAUCug
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 19 nucleotides
chain B contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 210
n_atoms_counter: 210
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 40.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -98.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211473 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.000
local terms energy: -156.490509
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 68.595 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -216.760049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.760049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.760049 (E_RNA)
where:
Base-Base interactions energy: -86.452
where: short stacking energy: -81.610
Base-Backbone interact. energy: -0.108
local terms energy: -130.256897
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.057 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -217.510351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.510351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.510351 (E_RNA)
where:
Base-Base interactions energy: -91.703
where: short stacking energy: -82.506
Base-Backbone interact. energy: -0.097
local terms energy: -125.710037
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -27.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -190.384015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384015 (E_RNA)
where:
Base-Base interactions energy: -83.746
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.457
local terms energy: -106.180580
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -10.831
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -179.360974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.360974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.360974 (E_RNA)
where:
Base-Base interactions energy: -73.219
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.129
local terms energy: -106.012959
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -175.459814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.459814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.459814 (E_RNA)
where:
Base-Base interactions energy: -83.093
where: short stacking energy: -57.981
Base-Backbone interact. energy: 3.360
local terms energy: -95.726693
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -6.569
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -166.926040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.926040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.926040 (E_RNA)
where:
Base-Base interactions energy: -64.856
where: short stacking energy: -44.291
Base-Backbone interact. energy: -2.600
local terms energy: -99.470464
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -145.231887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.231887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.231887 (E_RNA)
where:
Base-Base interactions energy: -48.194
where: short stacking energy: -48.194
Base-Backbone interact. energy: 1.178
local terms energy: -98.215189
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -172.870951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.870951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.870951 (E_RNA)
where:
Base-Base interactions energy: -70.704
where: short stacking energy: -34.443
Base-Backbone interact. energy: -0.330
local terms energy: -102.193285
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -142.891926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.891926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.891926 (E_RNA)
where:
Base-Base interactions energy: -61.024
where: short stacking energy: -49.108
Base-Backbone interact. energy: 0.187
local terms energy: -82.054915
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -122.945546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.945546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.945546 (E_RNA)
where:
Base-Base interactions energy: -44.512
where: short stacking energy: -30.511
Base-Backbone interact. energy: -1.325
local terms energy: -77.109015
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -26.531
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: 1.008
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -239.178660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.178660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.178660 (E_RNA)
where:
Base-Base interactions energy: -110.145
where: short stacking energy: -95.555
Base-Backbone interact. energy: -0.147
local terms energy: -128.886780
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -224.065232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.065232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.065232 (E_RNA)
where:
Base-Base interactions energy: -107.792
where: short stacking energy: -65.374
Base-Backbone interact. energy: -0.388
local terms energy: -116.116636
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.232 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -196.896240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.896240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.896240 (E_RNA)
where:
Base-Base interactions energy: -97.430
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.290
local terms energy: -99.176625
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -200.538204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.538204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.538204 (E_RNA)
where:
Base-Base interactions energy: -87.767
where: short stacking energy: -80.782
Base-Backbone interact. energy: -0.704
local terms energy: -112.066710
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -161.831749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.831749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.831749 (E_RNA)
where:
Base-Base interactions energy: -65.391
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.378
local terms energy: -96.063270
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -13.130
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -151.446742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.446742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.446742 (E_RNA)
where:
Base-Base interactions energy: -63.818
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.536
local terms energy: -87.093384
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -4.063
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -138.375402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.375402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.375402 (E_RNA)
where:
Base-Base interactions energy: -49.174
where: short stacking energy: -36.088
Base-Backbone interact. energy: -0.430
local terms energy: -88.878331
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: 4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.107 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -153.584127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.584127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.584127 (E_RNA)
where:
Base-Base interactions energy: -67.066
where: short stacking energy: -37.010
Base-Backbone interact. energy: -0.124
local terms energy: -86.393826
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -17.021
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -130.807323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.807323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.807323 (E_RNA)
where:
Base-Base interactions energy: -58.932
where: short stacking energy: -46.892
Base-Backbone interact. energy: -0.239
local terms energy: -71.635766
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -17.850
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -129.127284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.127284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.127284 (E_RNA)
where:
Base-Base interactions energy: -47.351
where: short stacking energy: -45.595
Base-Backbone interact. energy: -0.697
local terms energy: -81.079161
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -8.885
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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -240.861553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.861553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.861553 (E_RNA)
where:
Base-Base interactions energy: -121.965
where: short stacking energy: -63.492
Base-Backbone interact. energy: -0.974
local terms energy: -118.154780
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.232 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -237.848468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.848468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.848468 (E_RNA)
where:
Base-Base interactions energy: -99.896
where: short stacking energy: -92.601
Base-Backbone interact. energy: -0.112
local terms energy: -137.839878
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -28.550
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -209.190887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.190887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.190887 (E_RNA)
where:
Base-Base interactions energy: -107.643
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.034
local terms energy: -101.514663
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -187.502017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.502017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.502017 (E_RNA)
where:
Base-Base interactions energy: -79.795
where: short stacking energy: -59.718
Base-Backbone interact. energy: 0.299
local terms energy: -108.005831
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -10.916
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -170.761026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.761026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.761026 (E_RNA)
where:
Base-Base interactions energy: -63.558
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.208
local terms energy: -107.801718
where:
bonds (distance) C4'-P energy: -29.408
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -23.543
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.807 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -151.202583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.202583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.202583 (E_RNA)
where:
Base-Base interactions energy: -47.764
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.952
local terms energy: -102.486067
where:
bonds (distance) C4'-P energy: -28.264
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -149.560923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.560923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.560923 (E_RNA)
where:
Base-Base interactions energy: -62.261
where: short stacking energy: -56.246
Base-Backbone interact. energy: -0.372
local terms energy: -87.074177
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.146 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -139.859294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.859294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.859294 (E_RNA)
where:
Base-Base interactions energy: -53.592
where: short stacking energy: -42.762
Base-Backbone interact. energy: -0.131
local terms energy: -86.136407
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -2.486
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -158.264426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.264426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.264426 (E_RNA)
where:
Base-Base interactions energy: -87.362
where: short stacking energy: -52.338
Base-Backbone interact. energy: -1.035
local terms energy: -69.866967
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -0.816
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: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -127.417984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.417984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.417984 (E_RNA)
where:
Base-Base interactions energy: -53.980
where: short stacking energy: -47.172
Base-Backbone interact. energy: 5.595
local terms energy: -79.032858
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -267.814153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.814153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.814153 (E_RNA)
where:
Base-Base interactions energy: -142.274
where: short stacking energy: -88.378
Base-Backbone interact. energy: -0.938
local terms energy: -125.225256
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.623 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -249.583582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.583582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.583582 (E_RNA)
where:
Base-Base interactions energy: -133.214
where: short stacking energy: -90.086
Base-Backbone interact. energy: -0.340
local terms energy: -116.030112
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -25.940
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -245.156302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.156302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.156302 (E_RNA)
where:
Base-Base interactions energy: -136.831
where: short stacking energy: -77.066
Base-Backbone interact. energy: -1.178
local terms energy: -107.147268
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -13.429
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: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -250.924674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.924674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.924674 (E_RNA)
where:
Base-Base interactions energy: -152.003
where: short stacking energy: -72.820
Base-Backbone interact. energy: 1.408
local terms energy: -100.329712
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -153.183378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.183378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.183378 (E_RNA)
where:
Base-Base interactions energy: -60.265
where: short stacking energy: -56.718
Base-Backbone interact. energy: 0.331
local terms energy: -93.489984
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -150.968045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.968045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.968045 (E_RNA)
where:
Base-Base interactions energy: -57.958
where: short stacking energy: -44.590
Base-Backbone interact. energy: -0.444
local terms energy: -92.565936
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -17.201
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: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -178.584044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.584044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.584044 (E_RNA)
where:
Base-Base interactions energy: -88.840
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.432
local terms energy: -91.153132
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.840 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -170.583280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.583280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.583280 (E_RNA)
where:
Base-Base interactions energy: -76.928
where: short stacking energy: -49.280
Base-Backbone interact. energy: 1.828
local terms energy: -95.818256
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.335 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -149.886897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.886897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.886897 (E_RNA)
where:
Base-Base interactions energy: -55.747
where: short stacking energy: -38.300
Base-Backbone interact. energy: 0.475
local terms energy: -94.614946
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -13.612
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: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -140.164921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.164921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.164921 (E_RNA)
where:
Base-Base interactions energy: -55.631
where: short stacking energy: -36.322
Base-Backbone interact. energy: 0.420
local terms energy: -84.953712
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -1.410
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -260.131060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.131060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.131060 (E_RNA)
where:
Base-Base interactions energy: -158.047
where: short stacking energy: -80.721
Base-Backbone interact. energy: -0.114
local terms energy: -101.969621
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -13.570
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: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -263.047035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.047035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.047035 (E_RNA)
where:
Base-Base interactions energy: -145.876
where: short stacking energy: -86.597
Base-Backbone interact. energy: -0.252
local terms energy: -117.166177
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.248 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -295.297054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.297054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.297054 (E_RNA)
where:
Base-Base interactions energy: -185.260
where: short stacking energy: -84.025
Base-Backbone interact. energy: -0.474
local terms energy: -110.371577
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.808 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -210.930716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.930716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.930716 (E_RNA)
where:
Base-Base interactions energy: -108.445
where: short stacking energy: -60.718
Base-Backbone interact. energy: -1.050
local terms energy: -101.435755
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -25.013
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -9.295
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: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -210.312956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.312956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.312956 (E_RNA)
where:
Base-Base interactions energy: -115.667
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.512
local terms energy: -94.133068
where:
bonds (distance) C4'-P energy: -28.514
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -175.033725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.033725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.033725 (E_RNA)
where:
Base-Base interactions energy: -77.542
where: short stacking energy: -69.323
Base-Backbone interact. energy: -0.068
local terms energy: -97.424346
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -133.928332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.928332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.928332 (E_RNA)
where:
Base-Base interactions energy: -41.614
where: short stacking energy: -34.804
Base-Backbone interact. energy: -0.913
local terms energy: -91.400984
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -131.521068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.521068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.521068 (E_RNA)
where:
Base-Base interactions energy: -54.806
where: short stacking energy: -24.770
Base-Backbone interact. energy: 1.022
local terms energy: -77.737777
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: 6.877
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: 6
Temperature: 1.300000
Total energy: -133.079045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.079045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.079045 (E_RNA)
where:
Base-Base interactions energy: -51.105
where: short stacking energy: -36.214
Base-Backbone interact. energy: 0.241
local terms energy: -82.215580
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -9.993
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: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -107.806245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.806245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.806245 (E_RNA)
where:
Base-Base interactions energy: -54.230
where: short stacking energy: -22.399
Base-Backbone interact. energy: 0.823
local terms energy: -54.398306
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: 12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -275.004452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.004452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.004452 (E_RNA)
where:
Base-Base interactions energy: -152.481
where: short stacking energy: -79.912
Base-Backbone interact. energy: -0.232
local terms energy: -122.291314
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -26.246
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -304.247206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.247206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.247206 (E_RNA)
where:
Base-Base interactions energy: -179.684
where: short stacking energy: -101.720
Base-Backbone interact. energy: -0.153
local terms energy: -124.420989
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -269.920402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.920402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.920402 (E_RNA)
where:
Base-Base interactions energy: -174.535
where: short stacking energy: -76.587
Base-Backbone interact. energy: -0.340
local terms energy: -95.045919
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -217.125518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.125518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.125518 (E_RNA)
where:
Base-Base interactions energy: -112.851
where: short stacking energy: -63.995
Base-Backbone interact. energy: 1.017
local terms energy: -105.291155
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -179.278827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.278827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.278827 (E_RNA)
where:
Base-Base interactions energy: -82.396
where: short stacking energy: -67.277
Base-Backbone interact. energy: 1.552
local terms energy: -99.554973
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.120 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -155.189816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.189816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.189816 (E_RNA)
where:
Base-Base interactions energy: -63.697
where: short stacking energy: -45.726
Base-Backbone interact. energy: -0.875
local terms energy: -90.618491
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -6.739
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: 7
Temperature: 1.200000
Total energy: -164.295268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.295268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.295268 (E_RNA)
where:
Base-Base interactions energy: -78.495
where: short stacking energy: -64.523
Base-Backbone interact. energy: 0.456
local terms energy: -86.810974
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.555 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -174.499686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.499686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.499686 (E_RNA)
where:
Base-Base interactions energy: -81.159
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.166
local terms energy: -93.174588
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -20.545
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: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -130.078092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.078092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.078092 (E_RNA)
where:
Base-Base interactions energy: -56.091
where: short stacking energy: -25.093
Base-Backbone interact. energy: -0.753
local terms energy: -76.022349
where:
bonds (distance) C4'-P energy: -26.609
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.788 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -183.797185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.797185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.797185 (E_RNA)
where:
Base-Base interactions energy: -93.539
where: short stacking energy: -38.867
Base-Backbone interact. energy: -1.248
local terms energy: -89.702985
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -18.052
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: 0.692 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -389.625622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.625622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.625622 (E_RNA)
where:
Base-Base interactions energy: -271.205
where: short stacking energy: -110.291
Base-Backbone interact. energy: 0.088
local terms energy: -118.508862
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -296.692328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.692328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.692328 (E_RNA)
where:
Base-Base interactions energy: -175.466
where: short stacking energy: -86.269
Base-Backbone interact. energy: -0.385
local terms energy: -120.842009
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -298.961892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.961892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.961892 (E_RNA)
where:
Base-Base interactions energy: -185.448
where: short stacking energy: -80.962
Base-Backbone interact. energy: -0.446
local terms energy: -113.068241
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -15.863
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: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -205.983025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.983025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.983025 (E_RNA)
where:
Base-Base interactions energy: -114.065
where: short stacking energy: -56.679
Base-Backbone interact. energy: -0.197
local terms energy: -91.721655
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -26.050
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -9.022
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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -228.201646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.201646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.201646 (E_RNA)
where:
Base-Base interactions energy: -134.349
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.312
local terms energy: -93.540575
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -163.954383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.954383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.954383 (E_RNA)
where:
Base-Base interactions energy: -73.816
where: short stacking energy: -40.648
Base-Backbone interact. energy: -0.369
local terms energy: -89.769740
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -12.971
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: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -158.176714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.176714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.176714 (E_RNA)
where:
Base-Base interactions energy: -65.858
where: short stacking energy: -51.182
Base-Backbone interact. energy: -0.302
local terms energy: -92.016749
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -158.901601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.901601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.901601 (E_RNA)
where:
Base-Base interactions energy: -72.616
where: short stacking energy: -42.476
Base-Backbone interact. energy: 0.520
local terms energy: -86.805033
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -236.025192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.025192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.025192 (E_RNA)
where:
Base-Base interactions energy: -128.503
where: short stacking energy: -73.512
Base-Backbone interact. energy: -1.274
local terms energy: -106.247899
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -124.798880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.798880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.798880 (E_RNA)
where:
Base-Base interactions energy: -43.374
where: short stacking energy: -30.105
Base-Backbone interact. energy: 0.415
local terms energy: -81.839294
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -12.345
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -402.953767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.953767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.953767 (E_RNA)
where:
Base-Base interactions energy: -274.626
where: short stacking energy: -101.742
Base-Backbone interact. energy: -0.387
local terms energy: -127.940687
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -328.183087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.183087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.183087 (E_RNA)
where:
Base-Base interactions energy: -211.851
where: short stacking energy: -92.201
Base-Backbone interact. energy: 0.496
local terms energy: -116.828086
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -23.935
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: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -273.985242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.985242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.985242 (E_RNA)
where:
Base-Base interactions energy: -165.365
where: short stacking energy: -88.271
Base-Backbone interact. energy: -0.192
local terms energy: -108.428146
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -14.945
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: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -261.211712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.211712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.211712 (E_RNA)
where:
Base-Base interactions energy: -150.577
where: short stacking energy: -77.438
Base-Backbone interact. energy: 1.326
local terms energy: -113.302136
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.342 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -217.609039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.609039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.609039 (E_RNA)
where:
Base-Base interactions energy: -124.358
where: short stacking energy: -49.141
Base-Backbone interact. energy: -0.310
local terms energy: -92.940992
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -6.663
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: 9
Temperature: 1.150000
Total energy: -154.088904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.088904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.088904 (E_RNA)
where:
Base-Base interactions energy: -48.983
where: short stacking energy: -44.437
Base-Backbone interact. energy: -0.396
local terms energy: -104.710105
where:
bonds (distance) C4'-P energy: -25.147
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -6.048
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -151.024796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.024796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.024796 (E_RNA)
where:
Base-Base interactions energy: -52.941
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.551
local terms energy: -97.532624
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -217.080373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.080373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080373 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -60.158
Base-Backbone interact. energy: -1.078
local terms energy: -91.842619
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -128.774132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.774132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.774132 (E_RNA)
where:
Base-Base interactions energy: -53.380
where: short stacking energy: -34.253
Base-Backbone interact. energy: -1.953
local terms energy: -73.440699
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -20.870
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: 10, replica: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -123.581149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.581149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.581149 (E_RNA)
where:
Base-Base interactions energy: -45.450
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.143
local terms energy: -78.098052
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -16.826
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: 0.110 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -420.475875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.475875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.475875 (E_RNA)
where:
Base-Base interactions energy: -300.289
where: short stacking energy: -114.785
Base-Backbone interact. energy: 0.283
local terms energy: -120.628219
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -26.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.158 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -351.156561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.156561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.156561 (E_RNA)
where:
Base-Base interactions energy: -225.966
where: short stacking energy: -99.615
Base-Backbone interact. energy: -0.241
local terms energy: -125.477804
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.528 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -285.227026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.227026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.227026 (E_RNA)
where:
Base-Base interactions energy: -172.596
where: short stacking energy: -90.420
Base-Backbone interact. energy: -0.628
local terms energy: -113.000026
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.997 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -251.959565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.959565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.959565 (E_RNA)
where:
Base-Base interactions energy: -144.702
where: short stacking energy: -77.346
Base-Backbone interact. energy: -0.569
local terms energy: -107.342089
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.654 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -236.799522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.799522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.799522 (E_RNA)
where:
Base-Base interactions energy: -135.751
where: short stacking energy: -60.644
Base-Backbone interact. energy: -1.132
local terms energy: -99.916829
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -26.526
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -159.452728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.452728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.452728 (E_RNA)
where:
Base-Base interactions energy: -62.423
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.578
local terms energy: -96.451763
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -202.483870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.483870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.483870 (E_RNA)
where:
Base-Base interactions energy: -107.472
where: short stacking energy: -48.352
Base-Backbone interact. energy: 0.523
local terms energy: -95.593180
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.059 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -194.223765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.223765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.223765 (E_RNA)
where:
Base-Base interactions energy: -110.594
where: short stacking energy: -41.726
Base-Backbone interact. energy: 0.027
local terms energy: -83.656904
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -32.455
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: 6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -141.897122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.897122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.897122 (E_RNA)
where:
Base-Base interactions energy: -64.913
where: short stacking energy: -32.659
Base-Backbone interact. energy: 0.221
local terms energy: -77.205703
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -12.022
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: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -123.093844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.093844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.093844 (E_RNA)
where:
Base-Base interactions energy: -42.778
where: short stacking energy: -26.795
Base-Backbone interact. energy: -0.941
local terms energy: -79.374682
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -439.505770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.505770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.505770 (E_RNA)
where:
Base-Base interactions energy: -305.925
where: short stacking energy: -114.564
Base-Backbone interact. energy: -0.170
local terms energy: -133.411460
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -29.666
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -27.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -337.230039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.230039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.230039 (E_RNA)
where:
Base-Base interactions energy: -212.650
where: short stacking energy: -100.783
Base-Backbone interact. energy: -0.462
local terms energy: -124.118316
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -27.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -246.572068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.572068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.572068 (E_RNA)
where:
Base-Base interactions energy: -136.604
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.579
local terms energy: -109.389227
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -279.362227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.362227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.362227 (E_RNA)
where:
Base-Base interactions energy: -171.520
where: short stacking energy: -77.464
Base-Backbone interact. energy: 2.274
local terms energy: -110.115885
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -31.914
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -281.227376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.227376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.227376 (E_RNA)
where:
Base-Base interactions energy: -173.382
where: short stacking energy: -89.722
Base-Backbone interact. energy: -0.914
local terms energy: -106.931229
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -17.210
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: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -220.096989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.096989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.096989 (E_RNA)
where:
Base-Base interactions energy: -119.495
where: short stacking energy: -61.769
Base-Backbone interact. energy: 0.011
local terms energy: -101.630864
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.017 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -147.418402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.418402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.418402 (E_RNA)
where:
Base-Base interactions energy: -49.100
where: short stacking energy: -49.100
Base-Backbone interact. energy: 0.056
local terms energy: -100.460993
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -28.245
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -11.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.087 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -247.759922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.759922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.759922 (E_RNA)
where:
Base-Base interactions energy: -165.987
where: short stacking energy: -70.204
Base-Backbone interact. energy: 3.287
local terms energy: -85.060398
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -6.916
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: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -182.862196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862196 (E_RNA)
where:
Base-Base interactions energy: -108.484
where: short stacking energy: -41.296
Base-Backbone interact. energy: 1.677
local terms energy: -76.934147
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: 2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.879 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -146.568642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.568642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.568642 (E_RNA)
where:
Base-Base interactions energy: -79.178
where: short stacking energy: -33.642
Base-Backbone interact. energy: -0.775
local terms energy: -66.615676
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: 6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -440.379296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.379296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.379296 (E_RNA)
where:
Base-Base interactions energy: -300.157
where: short stacking energy: -116.752
Base-Backbone interact. energy: -0.301
local terms energy: -139.921223
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -30.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -314.419718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.419718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.419718 (E_RNA)
where:
Base-Base interactions energy: -190.140
where: short stacking energy: -88.880
Base-Backbone interact. energy: -0.730
local terms energy: -123.550291
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -326.897185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.897185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.897185 (E_RNA)
where:
Base-Base interactions energy: -201.401
where: short stacking energy: -88.470
Base-Backbone interact. energy: -1.300
local terms energy: -124.195591
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -24.419
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: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -250.105450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.105450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.105450 (E_RNA)
where:
Base-Base interactions energy: -144.085
where: short stacking energy: -54.751
Base-Backbone interact. energy: -0.751
local terms energy: -105.269010
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -30.468
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -243.724188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.724188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.724188 (E_RNA)
where:
Base-Base interactions energy: -149.034
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.569
local terms energy: -94.121195
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -308.888369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.888369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.888369 (E_RNA)
where:
Base-Base interactions energy: -186.846
where: short stacking energy: -84.433
Base-Backbone interact. energy: -0.431
local terms energy: -121.611455
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -262.909255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.909255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.909255 (E_RNA)
where:
Base-Base interactions energy: -161.528
where: short stacking energy: -69.595
Base-Backbone interact. energy: 0.754
local terms energy: -102.136045
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -130.846014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.846014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.846014 (E_RNA)
where:
Base-Base interactions energy: -46.406
where: short stacking energy: -18.723
Base-Backbone interact. energy: -0.254
local terms energy: -84.186582
where:
bonds (distance) C4'-P energy: -25.250
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -217.708550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.708550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.708550 (E_RNA)
where:
Base-Base interactions energy: -120.025
where: short stacking energy: -52.365
Base-Backbone interact. energy: -0.285
local terms energy: -97.397877
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -122.711429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.711429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.711429 (E_RNA)
where:
Base-Base interactions energy: -41.592
where: short stacking energy: -25.318
Base-Backbone interact. energy: -0.558
local terms energy: -80.768433
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: 2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -463.677084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.677084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.677084 (E_RNA)
where:
Base-Base interactions energy: -334.045
where: short stacking energy: -133.882
Base-Backbone interact. energy: -0.152
local terms energy: -129.480470
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -33.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -359.149501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.149501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.149501 (E_RNA)
where:
Base-Base interactions energy: -224.614
where: short stacking energy: -112.322
Base-Backbone interact. energy: -2.195
local terms energy: -132.832668
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -28.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.492 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -295.747784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.747784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.747784 (E_RNA)
where:
Base-Base interactions energy: -188.283
where: short stacking energy: -93.920
Base-Backbone interact. energy: -1.943
local terms energy: -105.521695
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -23.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -235.034928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.034928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.034928 (E_RNA)
where:
Base-Base interactions energy: -132.445
where: short stacking energy: -70.366
Base-Backbone interact. energy: 0.856
local terms energy: -103.445559
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -249.337457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.337457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.337457 (E_RNA)
where:
Base-Base interactions energy: -139.969
where: short stacking energy: -83.534
Base-Backbone interact. energy: 0.008
local terms energy: -109.377109
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -331.555552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.555552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.555552 (E_RNA)
where:
Base-Base interactions energy: -207.757
where: short stacking energy: -106.508
Base-Backbone interact. energy: -1.038
local terms energy: -122.761102
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -26.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -269.774370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.774370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.774370 (E_RNA)
where:
Base-Base interactions energy: -166.577
where: short stacking energy: -80.558
Base-Backbone interact. energy: 0.527
local terms energy: -103.724637
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -13.944
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: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -240.306828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.306828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.306828 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.652
local terms energy: -104.080469
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -130.952784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.952784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.952784 (E_RNA)
where:
Base-Base interactions energy: -41.118
where: short stacking energy: -34.452
Base-Backbone interact. energy: -0.239
local terms energy: -89.781958
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -28.058
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.186 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -122.283988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.283988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.283988 (E_RNA)
where:
Base-Base interactions energy: -41.752
where: short stacking energy: -32.840
Base-Backbone interact. energy: -0.547
local terms energy: -79.985338
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -4.589
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -458.632409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.632409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.632409 (E_RNA)
where:
Base-Base interactions energy: -321.627
where: short stacking energy: -122.842
Base-Backbone interact. energy: -0.058
local terms energy: -136.947234
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -29.373
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -30.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -353.517866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.517866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.517866 (E_RNA)
where:
Base-Base interactions energy: -225.348
where: short stacking energy: -94.866
Base-Backbone interact. energy: -1.087
local terms energy: -127.434413
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.352 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -306.154451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.154451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.154451 (E_RNA)
where:
Base-Base interactions energy: -193.095
where: short stacking energy: -82.490
Base-Backbone interact. energy: -1.730
local terms energy: -111.329088
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -270.701581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.701581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.701581 (E_RNA)
where:
Base-Base interactions energy: -173.203
where: short stacking energy: -76.879
Base-Backbone interact. energy: -0.732
local terms energy: -96.900356
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.134 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -323.816480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.816480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.816480 (E_RNA)
where:
Base-Base interactions energy: -210.804
where: short stacking energy: -100.827
Base-Backbone interact. energy: -1.203
local terms energy: -111.809134
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -21.877
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: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -221.985207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.985207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.985207 (E_RNA)
where:
Base-Base interactions energy: -121.509
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.354
local terms energy: -100.141064
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.020 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -287.989310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.989310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.989310 (E_RNA)
where:
Base-Base interactions energy: -184.222
where: short stacking energy: -70.926
Base-Backbone interact. energy: 2.300
local terms energy: -106.067401
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -16.359
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -204.638311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.638311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.638311 (E_RNA)
where:
Base-Base interactions energy: -115.145
where: short stacking energy: -55.786
Base-Backbone interact. energy: 0.156
local terms energy: -90.166021
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -17.982
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: 0.516 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -126.990592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.990592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.990592 (E_RNA)
where:
Base-Base interactions energy: -41.830
where: short stacking energy: -41.830
Base-Backbone interact. energy: 1.940
local terms energy: -87.100571
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -120.508930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.508930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.508930 (E_RNA)
where:
Base-Base interactions energy: -31.040
where: short stacking energy: -28.931
Base-Backbone interact. energy: -0.698
local terms energy: -88.770985
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -461.540362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.540362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.540362 (E_RNA)
where:
Base-Base interactions energy: -324.259
where: short stacking energy: -135.655
Base-Backbone interact. energy: -0.947
local terms energy: -136.334496
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -33.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -356.135162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.135162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.135162 (E_RNA)
where:
Base-Base interactions energy: -231.521
where: short stacking energy: -99.046
Base-Backbone interact. energy: -0.252
local terms energy: -125.122183
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -24.942
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -28.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.760 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -303.598138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.598138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.598138 (E_RNA)
where:
Base-Base interactions energy: -182.855
where: short stacking energy: -80.633
Base-Backbone interact. energy: -1.281
local terms energy: -119.462574
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -321.717489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.717489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.717489 (E_RNA)
where:
Base-Base interactions energy: -200.965
where: short stacking energy: -102.772
Base-Backbone interact. energy: -1.400
local terms energy: -119.352836
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -30.138
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -298.085744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.085744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.085744 (E_RNA)
where:
Base-Base interactions energy: -177.941
where: short stacking energy: -88.752
Base-Backbone interact. energy: -2.348
local terms energy: -117.796689
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -31.251
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -18.824
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: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -300.798576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.798576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.798576 (E_RNA)
where:
Base-Base interactions energy: -196.711
where: short stacking energy: -87.611
Base-Backbone interact. energy: -0.027
local terms energy: -104.060529
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -205.924047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.924047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.924047 (E_RNA)
where:
Base-Base interactions energy: -121.820
where: short stacking energy: -48.805
Base-Backbone interact. energy: -0.907
local terms energy: -83.196389
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -234.211713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.211713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.211713 (E_RNA)
where:
Base-Base interactions energy: -138.951
where: short stacking energy: -64.971
Base-Backbone interact. energy: 0.943
local terms energy: -96.203462
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -128.348444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.348444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.348444 (E_RNA)
where:
Base-Base interactions energy: -47.994
where: short stacking energy: -25.771
Base-Backbone interact. energy: -0.716
local terms energy: -80.374482
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: 8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.737 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -149.994239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.994239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.994239 (E_RNA)
where:
Base-Base interactions energy: -71.039
where: short stacking energy: -41.827
Base-Backbone interact. energy: -0.349
local terms energy: -78.606985
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -7.203
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: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -479.819413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.819413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.819413 (E_RNA)
where:
Base-Base interactions energy: -337.652
where: short stacking energy: -133.125
Base-Backbone interact. energy: -0.057
local terms energy: -142.324428
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -26.538
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -37.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.214 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -397.917539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.917539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.917539 (E_RNA)
where:
Base-Base interactions energy: -273.032
where: short stacking energy: -109.198
Base-Backbone interact. energy: -0.111
local terms energy: -124.903406
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -26.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.129 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -334.668720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.668720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.668720 (E_RNA)
where:
Base-Base interactions energy: -202.639
where: short stacking energy: -107.504
Base-Backbone interact. energy: -2.288
local terms energy: -129.741796
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -33.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -294.967765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.967765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.967765 (E_RNA)
where:
Base-Base interactions energy: -181.746
where: short stacking energy: -87.547
Base-Backbone interact. energy: -0.527
local terms energy: -112.945381
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.251 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -385.681637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.681637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.681637 (E_RNA)
where:
Base-Base interactions energy: -258.719
where: short stacking energy: -100.334
Base-Backbone interact. energy: -0.322
local terms energy: -126.641002
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -30.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -268.760698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.760698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.760698 (E_RNA)
where:
Base-Base interactions energy: -188.102
where: short stacking energy: -73.058
Base-Backbone interact. energy: -1.332
local terms energy: -79.326060
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -255.387433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.387433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.387433 (E_RNA)
where:
Base-Base interactions energy: -157.954
where: short stacking energy: -81.085
Base-Backbone interact. energy: 6.063
local terms energy: -103.496341
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -28.747
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -247.791555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.791555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.791555 (E_RNA)
where:
Base-Base interactions energy: -145.823
where: short stacking energy: -63.148
Base-Backbone interact. energy: -0.653
local terms energy: -101.315582
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -125.020547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.020547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.020547 (E_RNA)
where:
Base-Base interactions energy: -34.963
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.195
local terms energy: -89.863147
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -122.162776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.162776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.162776 (E_RNA)
where:
Base-Base interactions energy: -35.899
where: short stacking energy: -31.689
Base-Backbone interact. energy: -1.183
local terms energy: -85.081365
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -14.644
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: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -484.612187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.612187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.612187 (E_RNA)
where:
Base-Base interactions energy: -347.126
where: short stacking energy: -126.496
Base-Backbone interact. energy: -0.004
local terms energy: -137.481304
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -33.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -398.054575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.054575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.054575 (E_RNA)
where:
Base-Base interactions energy: -259.009
where: short stacking energy: -108.845
Base-Backbone interact. energy: -0.291
local terms energy: -139.111195
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -34.393
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -30.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -347.147418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.147418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.147418 (E_RNA)
where:
Base-Base interactions energy: -224.365
where: short stacking energy: -95.936
Base-Backbone interact. energy: 0.238
local terms energy: -123.020544
where:
bonds (distance) C4'-P energy: -25.730
bonds (distance) P-C4' energy: -32.409
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -408.685738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.685738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.685738 (E_RNA)
where:
Base-Base interactions energy: -286.070
where: short stacking energy: -123.731
Base-Backbone interact. energy: -1.354
local terms energy: -121.262069
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -31.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -282.125630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.125630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.125630 (E_RNA)
where:
Base-Base interactions energy: -172.849
where: short stacking energy: -75.273
Base-Backbone interact. energy: -1.144
local terms energy: -108.751715
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.618 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -242.281489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.281489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.281489 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.642
local terms energy: -96.842787
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -12.406
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: 17
Temperature: 1.200000
Total energy: -226.629603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.629603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.629603 (E_RNA)
where:
Base-Base interactions energy: -131.667
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.791
local terms energy: -95.253288
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.081 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -243.468622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.468622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.468622 (E_RNA)
where:
Base-Base interactions energy: -143.674
where: short stacking energy: -66.500
Base-Backbone interact. energy: 0.862
local terms energy: -100.698541
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.043 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -119.885434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.885434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.885434 (E_RNA)
where:
Base-Base interactions energy: -48.916
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.574
local terms energy: -70.395820
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -10.069
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -125.627373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.627373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.627373 (E_RNA)
where:
Base-Base interactions energy: -48.157
where: short stacking energy: -40.929
Base-Backbone interact. energy: 2.356
local terms energy: -79.826398
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: 3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -527.771376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.771376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.771376 (E_RNA)
where:
Base-Base interactions energy: -383.990
where: short stacking energy: -146.002
Base-Backbone interact. energy: -0.002
local terms energy: -143.779645
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -45.356
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: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -397.911719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.911719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.911719 (E_RNA)
where:
Base-Base interactions energy: -272.367
where: short stacking energy: -104.708
Base-Backbone interact. energy: -1.417
local terms energy: -124.127647
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -31.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -427.326014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.326014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.326014 (E_RNA)
where:
Base-Base interactions energy: -302.968
where: short stacking energy: -112.532
Base-Backbone interact. energy: -0.014
local terms energy: -124.344026
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -29.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -347.581933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.581933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.581933 (E_RNA)
where:
Base-Base interactions energy: -224.881
where: short stacking energy: -112.873
Base-Backbone interact. energy: -1.040
local terms energy: -121.660799
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -30.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -267.596861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.596861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.596861 (E_RNA)
where:
Base-Base interactions energy: -162.841
where: short stacking energy: -80.430
Base-Backbone interact. energy: 0.261
local terms energy: -105.017003
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -268.292593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.292593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.292593 (E_RNA)
where:
Base-Base interactions energy: -160.441
where: short stacking energy: -71.160
Base-Backbone interact. energy: -1.143
local terms energy: -107.111146
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -30.470
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.403 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -278.871284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.871284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.871284 (E_RNA)
where:
Base-Base interactions energy: -182.311
where: short stacking energy: -80.520
Base-Backbone interact. energy: -1.244
local terms energy: -95.316121
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -221.440778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.440778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.440778 (E_RNA)
where:
Base-Base interactions energy: -122.918
where: short stacking energy: -60.402
Base-Backbone interact. energy: 0.462
local terms energy: -101.854264
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.869 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -141.504239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.504239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.504239 (E_RNA)
where:
Base-Base interactions energy: -59.383
where: short stacking energy: -58.459
Base-Backbone interact. energy: -0.168
local terms energy: -81.952967
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -125.747960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.747960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.747960 (E_RNA)
where:
Base-Base interactions energy: -57.698
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.936
local terms energy: -67.114302
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: 2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -541.440674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.440674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.440674 (E_RNA)
where:
Base-Base interactions energy: -398.137
where: short stacking energy: -154.562
Base-Backbone interact. energy: -0.086
local terms energy: -143.217758
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -28.468
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -46.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -443.176739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.176739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.176739 (E_RNA)
where:
Base-Base interactions energy: -310.530
where: short stacking energy: -120.390
Base-Backbone interact. energy: -0.037
local terms energy: -132.609393
where:
bonds (distance) C4'-P energy: -24.779
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -35.192
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: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -385.538365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.538365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.538365 (E_RNA)
where:
Base-Base interactions energy: -255.626
where: short stacking energy: -106.423
Base-Backbone interact. energy: -1.127
local terms energy: -128.784854
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -28.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -332.578968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.578968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.578968 (E_RNA)
where:
Base-Base interactions energy: -220.449
where: short stacking energy: -100.560
Base-Backbone interact. energy: -1.085
local terms energy: -111.044927
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -278.580825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.580825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.580825 (E_RNA)
where:
Base-Base interactions energy: -176.718
where: short stacking energy: -82.235
Base-Backbone interact. energy: 0.579
local terms energy: -102.441983
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -308.698695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.698695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.698695 (E_RNA)
where:
Base-Base interactions energy: -193.931
where: short stacking energy: -91.738
Base-Backbone interact. energy: 0.147
local terms energy: -114.993635
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -234.079354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.079354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.079354 (E_RNA)
where:
Base-Base interactions energy: -148.329
where: short stacking energy: -63.861
Base-Backbone interact. energy: -0.630
local terms energy: -85.120473
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -147.118952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.118952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.118952 (E_RNA)
where:
Base-Base interactions energy: -47.521
where: short stacking energy: -40.272
Base-Backbone interact. energy: -0.721
local terms energy: -100.340221
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.463 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -225.424907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.424907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.424907 (E_RNA)
where:
Base-Base interactions energy: -118.763
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.178
local terms energy: -106.483444
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -130.777509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.777509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.777509 (E_RNA)
where:
Base-Base interactions energy: -46.432
where: short stacking energy: -42.454
Base-Backbone interact. energy: -0.525
local terms energy: -83.821112
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -27.439
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -539.601426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.601426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.601426 (E_RNA)
where:
Base-Base interactions energy: -388.126
where: short stacking energy: -150.431
Base-Backbone interact. energy: -0.002
local terms energy: -151.473985
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -45.373
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -475.333990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.333990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.333990 (E_RNA)
where:
Base-Base interactions energy: -326.983
where: short stacking energy: -126.836
Base-Backbone interact. energy: -0.478
local terms energy: -147.872208
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -31.168
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -36.066
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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -382.452113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.452113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.452113 (E_RNA)
where:
Base-Base interactions energy: -242.147
where: short stacking energy: -104.016
Base-Backbone interact. energy: 0.748
local terms energy: -141.053806
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -31.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -363.097175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.097175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.097175 (E_RNA)
where:
Base-Base interactions energy: -232.240
where: short stacking energy: -107.230
Base-Backbone interact. energy: -0.125
local terms energy: -130.732230
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -29.168
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -30.684
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: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -367.926200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.926200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.926200 (E_RNA)
where:
Base-Base interactions energy: -259.881
where: short stacking energy: -94.142
Base-Backbone interact. energy: -0.752
local terms energy: -107.292769
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -26.742
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -23.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -243.573628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.573628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.573628 (E_RNA)
where:
Base-Base interactions energy: -151.880
where: short stacking energy: -62.552
Base-Backbone interact. energy: -1.073
local terms energy: -90.620082
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -8.614
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: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -221.680066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.680066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.680066 (E_RNA)
where:
Base-Base interactions energy: -125.387
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.671
local terms energy: -95.621856
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -156.905183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.905183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.905183 (E_RNA)
where:
Base-Base interactions energy: -75.018
where: short stacking energy: -44.152
Base-Backbone interact. energy: -0.682
local terms energy: -81.205363
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -7.634
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: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -261.309335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.309335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.309335 (E_RNA)
where:
Base-Base interactions energy: -166.251
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.442
local terms energy: -94.616351
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -126.687052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.687052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.687052 (E_RNA)
where:
Base-Base interactions energy: -61.104
where: short stacking energy: -44.821
Base-Backbone interact. energy: 4.550
local terms energy: -70.133161
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -4.216
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -545.789815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.789815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.789815 (E_RNA)
where:
Base-Base interactions energy: -387.357
where: short stacking energy: -147.791
Base-Backbone interact. energy: -0.045
local terms energy: -158.387391
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -31.270
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -44.554
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: 21
Temperature: 0.950000
Total energy: -474.255575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.255575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.255575 (E_RNA)
where:
Base-Base interactions energy: -342.859
where: short stacking energy: -125.773
Base-Backbone interact. energy: -0.425
local terms energy: -130.971941
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -36.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -383.936847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.936847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.936847 (E_RNA)
where:
Base-Base interactions energy: -249.542
where: short stacking energy: -106.412
Base-Backbone interact. energy: -0.582
local terms energy: -133.813006
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -34.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -426.173295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.173295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.173295 (E_RNA)
where:
Base-Base interactions energy: -302.138
where: short stacking energy: -123.558
Base-Backbone interact. energy: -0.516
local terms energy: -123.519276
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -34.280
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: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -363.499706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.499706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.499706 (E_RNA)
where:
Base-Base interactions energy: -238.495
where: short stacking energy: -101.043
Base-Backbone interact. energy: -0.621
local terms energy: -124.383228
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -29.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -273.187122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.187122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.187122 (E_RNA)
where:
Base-Base interactions energy: -167.662
where: short stacking energy: -71.440
Base-Backbone interact. energy: -0.535
local terms energy: -104.989543
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -31.538
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -217.781458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.781458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.781458 (E_RNA)
where:
Base-Base interactions energy: -129.325
where: short stacking energy: -59.617
Base-Backbone interact. energy: 2.737
local terms energy: -91.192817
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -302.434760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.434760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.434760 (E_RNA)
where:
Base-Base interactions energy: -189.948
where: short stacking energy: -86.607
Base-Backbone interact. energy: 0.248
local terms energy: -112.735554
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -25.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -126.566061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.566061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.566061 (E_RNA)
where:
Base-Base interactions energy: -51.759
where: short stacking energy: -36.945
Base-Backbone interact. energy: 0.204
local terms energy: -75.010909
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -14.384
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: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -121.933053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.933053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.933053 (E_RNA)
where:
Base-Base interactions energy: -38.576
where: short stacking energy: -38.576
Base-Backbone interact. energy: -1.635
local terms energy: -81.722231
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -11.402
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: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -540.223581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.223581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.223581 (E_RNA)
where:
Base-Base interactions energy: -383.520
where: short stacking energy: -144.686
Base-Backbone interact. energy: -0.004
local terms energy: -156.699781
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -33.208
flat angles P-C4'-P energy: -25.896
tors. eta vs tors. theta energy: -46.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -502.245184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.245184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.245184 (E_RNA)
where:
Base-Base interactions energy: -359.324
where: short stacking energy: -139.645
Base-Backbone interact. energy: -0.315
local terms energy: -142.606405
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -31.397
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -38.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -456.114624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.114624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.114624 (E_RNA)
where:
Base-Base interactions energy: -322.339
where: short stacking energy: -120.106
Base-Backbone interact. energy: -0.417
local terms energy: -133.358459
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -33.594
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: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -370.177380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.177380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.177380 (E_RNA)
where:
Base-Base interactions energy: -241.018
where: short stacking energy: -110.078
Base-Backbone interact. energy: -0.133
local terms energy: -129.025841
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -32.883
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: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -345.183429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.183429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.183429 (E_RNA)
where:
Base-Base interactions energy: -222.853
where: short stacking energy: -98.198
Base-Backbone interact. energy: -0.401
local terms energy: -121.929858
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -28.098
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: -28.006
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: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -225.952486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952486 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -61.516
Base-Backbone interact. energy: 0.981
local terms energy: -108.282543
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -28.530
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.742 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -328.645080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.645080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.645080 (E_RNA)
where:
Base-Base interactions energy: -243.385
where: short stacking energy: -89.601
Base-Backbone interact. energy: -0.124
local terms energy: -85.135765
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -222.361297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.361297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.361297 (E_RNA)
where:
Base-Base interactions energy: -128.509
where: short stacking energy: -63.793
Base-Backbone interact. energy: 0.359
local terms energy: -94.210606
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -134.219347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.219347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.219347 (E_RNA)
where:
Base-Base interactions energy: -61.602
where: short stacking energy: -44.296
Base-Backbone interact. energy: -0.224
local terms energy: -73.247032
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -7.098
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: 0.853 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -133.670003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.670003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.670003 (E_RNA)
where:
Base-Base interactions energy: -55.474
where: short stacking energy: -31.383
Base-Backbone interact. energy: 1.604
local terms energy: -79.799064
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -8.062
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -543.706378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.706378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.706378 (E_RNA)
where:
Base-Base interactions energy: -388.837
where: short stacking energy: -150.373
Base-Backbone interact. energy: -0.001
local terms energy: -154.868540
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -46.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -510.440476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.440476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.440476 (E_RNA)
where:
Base-Base interactions energy: -364.749
where: short stacking energy: -137.846
Base-Backbone interact. energy: -0.068
local terms energy: -145.623241
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -27.445
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -37.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -515.858247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.858247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.858247 (E_RNA)
where:
Base-Base interactions energy: -367.925
where: short stacking energy: -143.776
Base-Backbone interact. energy: -0.078
local terms energy: -148.194990
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -45.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.340 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -368.468451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.468451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.468451 (E_RNA)
where:
Base-Base interactions energy: -236.156
where: short stacking energy: -104.759
Base-Backbone interact. energy: -0.324
local terms energy: -132.115145
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.127 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -355.948830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.948830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.948830 (E_RNA)
where:
Base-Base interactions energy: -235.287
where: short stacking energy: -107.266
Base-Backbone interact. energy: -2.215
local terms energy: -118.445978
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -23.825
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: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -432.505396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.505396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.505396 (E_RNA)
where:
Base-Base interactions energy: -312.373
where: short stacking energy: -119.966
Base-Backbone interact. energy: -0.331
local terms energy: -119.801786
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -26.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -251.462818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.462818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.462818 (E_RNA)
where:
Base-Base interactions energy: -154.400
where: short stacking energy: -64.560
Base-Backbone interact. energy: -0.753
local terms energy: -97.730632
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.421 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -200.467433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.467433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.467433 (E_RNA)
where:
Base-Base interactions energy: -110.897
where: short stacking energy: -65.309
Base-Backbone interact. energy: -0.565
local terms energy: -89.005213
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -115.842383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.842383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.842383 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -34.270
Base-Backbone interact. energy: 0.401
local terms energy: -81.398217
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -16.983
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: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -120.469333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.469333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.469333 (E_RNA)
where:
Base-Base interactions energy: -35.305
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.643
local terms energy: -84.782489
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: 0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -559.170757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.170757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.170757 (E_RNA)
where:
Base-Base interactions energy: -399.388
where: short stacking energy: -152.664
Base-Backbone interact. energy: -0.001
local terms energy: -159.781780
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -24.176
tors. eta vs tors. theta energy: -47.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -496.816024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.816024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.816024 (E_RNA)
where:
Base-Base interactions energy: -354.608
where: short stacking energy: -137.750
Base-Backbone interact. energy: -0.262
local terms energy: -141.945991
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -31.700
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -538.326761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.326761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.326761 (E_RNA)
where:
Base-Base interactions energy: -379.744
where: short stacking energy: -144.393
Base-Backbone interact. energy: -0.004
local terms energy: -158.578930
where:
bonds (distance) C4'-P energy: -30.274
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -46.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -392.137231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.137231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.137231 (E_RNA)
where:
Base-Base interactions energy: -261.235
where: short stacking energy: -114.694
Base-Backbone interact. energy: 1.441
local terms energy: -132.342579
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -38.492
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -408.865337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.865337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.865337 (E_RNA)
where:
Base-Base interactions energy: -277.336
where: short stacking energy: -112.665
Base-Backbone interact. energy: 2.544
local terms energy: -134.073442
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -31.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -346.664700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.664700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.664700 (E_RNA)
where:
Base-Base interactions energy: -231.797
where: short stacking energy: -104.300
Base-Backbone interact. energy: 1.046
local terms energy: -115.913112
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -26.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -213.253246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.253246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253246 (E_RNA)
where:
Base-Base interactions energy: -111.985
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.193
local terms energy: -102.204772
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.130 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -238.749702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.749702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.749702 (E_RNA)
where:
Base-Base interactions energy: -147.969
where: short stacking energy: -63.548
Base-Backbone interact. energy: -1.319
local terms energy: -89.461456
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -10.827
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: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -124.722729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.722729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.722729 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -38.285
Base-Backbone interact. energy: -0.263
local terms energy: -74.875291
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -1.742
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -126.396479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.396479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.396479 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -29.356
Base-Backbone interact. energy: -0.219
local terms energy: -86.798584
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -16.472
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: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -539.925633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.925633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.925633 (E_RNA)
where:
Base-Base interactions energy: -390.807
where: short stacking energy: -149.427
Base-Backbone interact. energy: -0.001
local terms energy: -149.118094
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -48.073
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: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -538.687150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.687150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.687150 (E_RNA)
where:
Base-Base interactions energy: -381.251
where: short stacking energy: -144.726
Base-Backbone interact. energy: -0.001
local terms energy: -157.435770
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -30.975
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -46.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -495.067189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.067189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.067189 (E_RNA)
where:
Base-Base interactions energy: -353.777
where: short stacking energy: -138.596
Base-Backbone interact. energy: 1.349
local terms energy: -142.639836
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: -37.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -423.855134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.855134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.855134 (E_RNA)
where:
Base-Base interactions energy: -293.920
where: short stacking energy: -112.055
Base-Backbone interact. energy: -0.007
local terms energy: -129.928110
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -31.394
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: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -374.121204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.121204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.121204 (E_RNA)
where:
Base-Base interactions energy: -248.128
where: short stacking energy: -104.199
Base-Backbone interact. energy: -0.153
local terms energy: -125.839675
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -33.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -335.498515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.498515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.498515 (E_RNA)
where:
Base-Base interactions energy: -212.807
where: short stacking energy: -92.373
Base-Backbone interact. energy: 1.187
local terms energy: -123.878144
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -24.097
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: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -225.343044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.343044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.343044 (E_RNA)
where:
Base-Base interactions energy: -117.399
where: short stacking energy: -69.302
Base-Backbone interact. energy: -1.082
local terms energy: -106.862188
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -26.673
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -308.313569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.313569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.313569 (E_RNA)
where:
Base-Base interactions energy: -205.930
where: short stacking energy: -84.598
Base-Backbone interact. energy: -1.469
local terms energy: -100.914564
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -118.209270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.209270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.209270 (E_RNA)
where:
Base-Base interactions energy: -34.577
where: short stacking energy: -14.309
Base-Backbone interact. energy: 0.112
local terms energy: -83.743641
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -15.328
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: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -114.452495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.452495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.452495 (E_RNA)
where:
Base-Base interactions energy: -29.256
where: short stacking energy: -29.256
Base-Backbone interact. energy: 5.069
local terms energy: -90.265283
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -13.346
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: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -546.333421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.333421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.333421 (E_RNA)
where:
Base-Base interactions energy: -389.436
where: short stacking energy: -150.310
Base-Backbone interact. energy: -0.045
local terms energy: -156.851797
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -47.581
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: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -545.131058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.131058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.131058 (E_RNA)
where:
Base-Base interactions energy: -397.504
where: short stacking energy: -157.704
Base-Backbone interact. energy: -0.051
local terms energy: -147.737784
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -44.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.162 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -489.748160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.748160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.748160 (E_RNA)
where:
Base-Base interactions energy: -351.649
where: short stacking energy: -134.007
Base-Backbone interact. energy: -0.170
local terms energy: -137.929394
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -35.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -440.538978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.538978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.538978 (E_RNA)
where:
Base-Base interactions energy: -310.162
where: short stacking energy: -113.772
Base-Backbone interact. energy: -0.025
local terms energy: -130.351620
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -30.805
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -342.180298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.180298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.180298 (E_RNA)
where:
Base-Base interactions energy: -215.183
where: short stacking energy: -99.964
Base-Backbone interact. energy: 1.173
local terms energy: -128.723829
where:
bonds (distance) C4'-P energy: -31.502
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -30.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.553 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -344.398020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.398020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.398020 (E_RNA)
where:
Base-Base interactions energy: -229.558
where: short stacking energy: -90.879
Base-Backbone interact. energy: -0.747
local terms energy: -114.426982
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.334 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -347.322297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.322297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.322297 (E_RNA)
where:
Base-Base interactions energy: -230.246
where: short stacking energy: -96.159
Base-Backbone interact. energy: -0.665
local terms energy: -117.434117
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.023 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -212.679583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.679583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.679583 (E_RNA)
where:
Base-Base interactions energy: -114.610
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.338
local terms energy: -97.731793
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -132.748265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.748265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.748265 (E_RNA)
where:
Base-Base interactions energy: -43.475
where: short stacking energy: -39.373
Base-Backbone interact. energy: -0.241
local terms energy: -89.031777
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -119.460176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.460176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.460176 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -43.110
Base-Backbone interact. energy: 0.575
local terms energy: -72.048447
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: 1.281
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: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -553.580570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.580570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.580570 (E_RNA)
where:
Base-Base interactions energy: -388.716
where: short stacking energy: -152.250
Base-Backbone interact. energy: -0.000
local terms energy: -164.864469
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -48.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -539.798237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.798237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.798237 (E_RNA)
where:
Base-Base interactions energy: -386.448
where: short stacking energy: -150.366
Base-Backbone interact. energy: -0.015
local terms energy: -153.557891
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.223 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -515.523046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.523046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.523046 (E_RNA)
where:
Base-Base interactions energy: -363.117
where: short stacking energy: -140.594
Base-Backbone interact. energy: 0.051
local terms energy: -152.456716
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -42.321
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: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -454.129446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.129446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.129446 (E_RNA)
where:
Base-Base interactions energy: -319.153
where: short stacking energy: -124.954
Base-Backbone interact. energy: -0.122
local terms energy: -134.854101
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -35.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -356.555171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.555171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.555171 (E_RNA)
where:
Base-Base interactions energy: -234.324
where: short stacking energy: -98.870
Base-Backbone interact. energy: 2.261
local terms energy: -124.491567
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -27.025
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: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -372.590889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.590889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.590889 (E_RNA)
where:
Base-Base interactions energy: -259.825
where: short stacking energy: -107.604
Base-Backbone interact. energy: -0.255
local terms energy: -112.510858
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -28.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -315.238484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.238484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.238484 (E_RNA)
where:
Base-Base interactions energy: -204.512
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.318
local terms energy: -110.407847
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -16.010
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: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -251.371619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.371619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.371619 (E_RNA)
where:
Base-Base interactions energy: -150.730
where: short stacking energy: -78.265
Base-Backbone interact. energy: 0.095
local terms energy: -100.736646
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -118.688167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.688167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.688167 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -23.775
Base-Backbone interact. energy: -1.078
local terms energy: -82.941329
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -114.036079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036079 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -36.926
Base-Backbone interact. energy: 0.809
local terms energy: -71.660049
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -14.074
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: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -544.127157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.127157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.127157 (E_RNA)
where:
Base-Base interactions energy: -386.967
where: short stacking energy: -148.812
Base-Backbone interact. energy: -0.004
local terms energy: -157.156878
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -47.029
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: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -547.484308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.484308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.484308 (E_RNA)
where:
Base-Base interactions energy: -387.988
where: short stacking energy: -141.077
Base-Backbone interact. energy: -0.002
local terms energy: -159.493561
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: -45.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -498.497885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.497885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.497885 (E_RNA)
where:
Base-Base interactions energy: -352.158
where: short stacking energy: -143.205
Base-Backbone interact. energy: -0.862
local terms energy: -145.477672
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -28.406
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -38.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -465.784047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.784047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.784047 (E_RNA)
where:
Base-Base interactions energy: -338.406
where: short stacking energy: -136.419
Base-Backbone interact. energy: -0.104
local terms energy: -127.273358
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -41.095
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: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -389.251433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.251433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.251433 (E_RNA)
where:
Base-Base interactions energy: -270.100
where: short stacking energy: -106.291
Base-Backbone interact. energy: 0.035
local terms energy: -119.186647
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -320.390977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.390977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.390977 (E_RNA)
where:
Base-Base interactions energy: -204.375
where: short stacking energy: -82.317
Base-Backbone interact. energy: 0.506
local terms energy: -118.007439
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -18.724
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.485 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -336.904630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.904630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.904630 (E_RNA)
where:
Base-Base interactions energy: -222.099
where: short stacking energy: -93.203
Base-Backbone interact. energy: -0.416
local terms energy: -114.389170
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -30.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -221.450641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.450641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.450641 (E_RNA)
where:
Base-Base interactions energy: -134.172
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.369
local terms energy: -86.909402
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -133.718525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.718525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.718525 (E_RNA)
where:
Base-Base interactions energy: -45.537
where: short stacking energy: -43.104
Base-Backbone interact. energy: -1.244
local terms energy: -86.937649
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -118.660620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.660620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.660620 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -31.132
Base-Backbone interact. energy: 0.031
local terms energy: -78.556345
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -13.865
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: 0.159 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -541.463014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.463014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.463014 (E_RNA)
where:
Base-Base interactions energy: -384.354
where: short stacking energy: -145.604
Base-Backbone interact. energy: -0.334
local terms energy: -156.818719
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -47.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -543.865881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.865881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.865881 (E_RNA)
where:
Base-Base interactions energy: -386.699
where: short stacking energy: -152.318
Base-Backbone interact. energy: -0.001
local terms energy: -157.165422
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -49.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -482.474072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.474072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.474072 (E_RNA)
where:
Base-Base interactions energy: -349.798
where: short stacking energy: -132.385
Base-Backbone interact. energy: -0.298
local terms energy: -132.378240
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -35.984
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: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -471.066356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.066356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.066356 (E_RNA)
where:
Base-Base interactions energy: -325.474
where: short stacking energy: -120.250
Base-Backbone interact. energy: -0.110
local terms energy: -145.482276
where:
bonds (distance) C4'-P energy: -24.427
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -37.625
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -382.977837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.977837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.977837 (E_RNA)
where:
Base-Base interactions energy: -267.263
where: short stacking energy: -112.062
Base-Backbone interact. energy: -0.253
local terms energy: -116.103843
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.642 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -265.768179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.768179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.768179 (E_RNA)
where:
Base-Base interactions energy: -152.402
where: short stacking energy: -73.657
Base-Backbone interact. energy: -1.340
local terms energy: -112.026511
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -26.729
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -301.909074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.909074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.909074 (E_RNA)
where:
Base-Base interactions energy: -190.787
where: short stacking energy: -89.326
Base-Backbone interact. energy: 1.564
local terms energy: -112.833971
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.148 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -218.391650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.391650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.391650 (E_RNA)
where:
Base-Base interactions energy: -128.148
where: short stacking energy: -56.096
Base-Backbone interact. energy: 0.983
local terms energy: -91.226533
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -131.060546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.060546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.060546 (E_RNA)
where:
Base-Base interactions energy: -49.737
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.136
local terms energy: -81.187716
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: 0.318
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: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -135.826290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.826290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.826290 (E_RNA)
where:
Base-Base interactions energy: -69.410
where: short stacking energy: -23.603
Base-Backbone interact. energy: 1.968
local terms energy: -68.384443
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: 11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -543.584247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.584247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.584247 (E_RNA)
where:
Base-Base interactions energy: -385.141
where: short stacking energy: -150.344
Base-Backbone interact. energy: -0.488
local terms energy: -158.022749
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -29.360
flat angles C4'-P-C4' energy: -32.596
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -49.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -545.080741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.080741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.080741 (E_RNA)
where:
Base-Base interactions energy: -394.864
where: short stacking energy: -152.682
Base-Backbone interact. energy: -0.007
local terms energy: -150.209540
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -46.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -477.773446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.773446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.773446 (E_RNA)
where:
Base-Base interactions energy: -339.360
where: short stacking energy: -135.121
Base-Backbone interact. energy: -0.183
local terms energy: -138.229630
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -40.860
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: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -495.328279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.328279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.328279 (E_RNA)
where:
Base-Base interactions energy: -354.512
where: short stacking energy: -136.526
Base-Backbone interact. energy: 0.644
local terms energy: -141.460587
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -31.630
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -41.498
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: 30
Temperature: 1.100000
Total energy: -446.716218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.716218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.716218 (E_RNA)
where:
Base-Base interactions energy: -316.155
where: short stacking energy: -125.374
Base-Backbone interact. energy: -0.247
local terms energy: -130.313498
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -34.764
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: 30
Temperature: 1.150000
Total energy: -257.267354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.267354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.267354 (E_RNA)
where:
Base-Base interactions energy: -148.483
where: short stacking energy: -78.223
Base-Backbone interact. energy: -0.213
local terms energy: -108.571190
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -26.273
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -25.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -295.993295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.993295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.993295 (E_RNA)
where:
Base-Base interactions energy: -187.396
where: short stacking energy: -74.439
Base-Backbone interact. energy: -0.298
local terms energy: -108.299343
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -196.974877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.974877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.974877 (E_RNA)
where:
Base-Base interactions energy: -99.439
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.462
local terms energy: -97.073925
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -161.102129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.102129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.102129 (E_RNA)
where:
Base-Base interactions energy: -73.269
where: short stacking energy: -41.628
Base-Backbone interact. energy: 0.382
local terms energy: -88.214675
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -121.418082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.418082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.418082 (E_RNA)
where:
Base-Base interactions energy: -53.379
where: short stacking energy: -38.646
Base-Backbone interact. energy: 1.892
local terms energy: -72.003684
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -5.272
flat angles P-C4'-P energy: -12.930
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: 2.073 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -549.080369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.080369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.080369 (E_RNA)
where:
Base-Base interactions energy: -388.249
where: short stacking energy: -150.563
Base-Backbone interact. energy: -0.002
local terms energy: -160.828917
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -47.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -551.485431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.485431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.485431 (E_RNA)
where:
Base-Base interactions energy: -393.276
where: short stacking energy: -153.865
Base-Backbone interact. energy: -0.005
local terms energy: -158.203874
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -44.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -504.648933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.648933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.648933 (E_RNA)
where:
Base-Base interactions energy: -354.947
where: short stacking energy: -137.419
Base-Backbone interact. energy: -0.003
local terms energy: -149.698805
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -42.219
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: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -493.172452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.172452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.172452 (E_RNA)
where:
Base-Base interactions energy: -355.845
where: short stacking energy: -140.096
Base-Backbone interact. energy: -0.223
local terms energy: -137.103778
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -450.280883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.280883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.280883 (E_RNA)
where:
Base-Base interactions energy: -326.251
where: short stacking energy: -121.069
Base-Backbone interact. energy: 0.487
local terms energy: -124.516627
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -31.049
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: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -322.754487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.754487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.754487 (E_RNA)
where:
Base-Base interactions energy: -222.643
where: short stacking energy: -98.373
Base-Backbone interact. energy: -0.072
local terms energy: -100.505911
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -22.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.467 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -239.170403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.170403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.170403 (E_RNA)
where:
Base-Base interactions energy: -130.395
where: short stacking energy: -83.727
Base-Backbone interact. energy: 1.928
local terms energy: -113.718844
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -23.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.016 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -205.643738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.643738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.643738 (E_RNA)
where:
Base-Base interactions energy: -118.342
where: short stacking energy: -58.533
Base-Backbone interact. energy: -1.129
local terms energy: -86.172582
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -136.278480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.278480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.278480 (E_RNA)
where:
Base-Base interactions energy: -61.926
where: short stacking energy: -20.093
Base-Backbone interact. energy: -1.370
local terms energy: -72.982747
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: 10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -139.368503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.368503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.368503 (E_RNA)
where:
Base-Base interactions energy: -52.190
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.418
local terms energy: -86.760503
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.113
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: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -552.305468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.305468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.305468 (E_RNA)
where:
Base-Base interactions energy: -389.460
where: short stacking energy: -154.033
Base-Backbone interact. energy: -0.013
local terms energy: -162.833162
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -45.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -545.870725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.870725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.870725 (E_RNA)
where:
Base-Base interactions energy: -393.651
where: short stacking energy: -154.616
Base-Backbone interact. energy: -0.002
local terms energy: -154.262653
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -48.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.045 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -495.942897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.942897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.942897 (E_RNA)
where:
Base-Base interactions energy: -358.624
where: short stacking energy: -132.809
Base-Backbone interact. energy: -0.244
local terms energy: -137.074793
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -524.635555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.635555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.635555 (E_RNA)
where:
Base-Base interactions energy: -370.997
where: short stacking energy: -142.659
Base-Backbone interact. energy: -0.047
local terms energy: -153.591282
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -44.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -440.390937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.390937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.390937 (E_RNA)
where:
Base-Base interactions energy: -314.788
where: short stacking energy: -124.626
Base-Backbone interact. energy: -0.191
local terms energy: -125.755806
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -31.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.344 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -311.995065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.995065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.995065 (E_RNA)
where:
Base-Base interactions energy: -200.472
where: short stacking energy: -76.717
Base-Backbone interact. energy: -0.938
local terms energy: -110.585155
where:
bonds (distance) C4'-P energy: -27.735
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -209.640005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.640005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.640005 (E_RNA)
where:
Base-Base interactions energy: -108.637
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.067
local terms energy: -100.937005
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -180.339339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.339339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.339339 (E_RNA)
where:
Base-Base interactions energy: -86.247
where: short stacking energy: -41.353
Base-Backbone interact. energy: -1.366
local terms energy: -92.726241
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -8.510
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -124.206105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.206105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.206105 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -22.526
Base-Backbone interact. energy: 0.865
local terms energy: -92.765153
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -128.601674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.601674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.601674 (E_RNA)
where:
Base-Base interactions energy: -43.712
where: short stacking energy: -37.433
Base-Backbone interact. energy: -0.858
local terms energy: -84.031651
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -17.778
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: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -555.129321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.129321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.129321 (E_RNA)
where:
Base-Base interactions energy: -391.137
where: short stacking energy: -151.345
Base-Backbone interact. energy: -0.038
local terms energy: -163.954529
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -49.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -534.695983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.695983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.695983 (E_RNA)
where:
Base-Base interactions energy: -387.446
where: short stacking energy: -150.475
Base-Backbone interact. energy: -0.008
local terms energy: -147.762234
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -45.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -488.364126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.364126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.364126 (E_RNA)
where:
Base-Base interactions energy: -347.586
where: short stacking energy: -132.356
Base-Backbone interact. energy: -0.290
local terms energy: -140.487886
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -23.211
tors. eta vs tors. theta energy: -38.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -527.427545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.427545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.427545 (E_RNA)
where:
Base-Base interactions energy: -375.510
where: short stacking energy: -139.580
Base-Backbone interact. energy: -0.041
local terms energy: -151.876455
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -44.655
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: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -439.284015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.284015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.284015 (E_RNA)
where:
Base-Base interactions energy: -308.699
where: short stacking energy: -122.518
Base-Backbone interact. energy: -0.787
local terms energy: -129.797911
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -37.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -308.744018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.744018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.744018 (E_RNA)
where:
Base-Base interactions energy: -193.394
where: short stacking energy: -83.313
Base-Backbone interact. energy: -0.844
local terms energy: -115.539243
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.033 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -225.368911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.368911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.368911 (E_RNA)
where:
Base-Base interactions energy: -139.189
where: short stacking energy: -78.674
Base-Backbone interact. energy: -0.107
local terms energy: -86.072583
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -15.708
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: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -183.587687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.587687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.587687 (E_RNA)
where:
Base-Base interactions energy: -95.456
where: short stacking energy: -56.254
Base-Backbone interact. energy: -0.544
local terms energy: -88.424959
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.837 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -121.146916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.146916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.146916 (E_RNA)
where:
Base-Base interactions energy: -44.429
where: short stacking energy: -42.725
Base-Backbone interact. energy: -0.349
local terms energy: -77.142757
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.773 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -123.355929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.355929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.355929 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -39.118
Base-Backbone interact. energy: 2.289
local terms energy: -73.451890
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.207 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -545.779044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.779044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.779044 (E_RNA)
where:
Base-Base interactions energy: -390.717
where: short stacking energy: -151.609
Base-Backbone interact. energy: -1.186
local terms energy: -153.876138
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -46.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -544.458748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.458748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.458748 (E_RNA)
where:
Base-Base interactions energy: -391.100
where: short stacking energy: -150.273
Base-Backbone interact. energy: -0.696
local terms energy: -152.662323
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -44.684
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: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -512.313011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.313011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.313011 (E_RNA)
where:
Base-Base interactions energy: -367.052
where: short stacking energy: -143.665
Base-Backbone interact. energy: 0.279
local terms energy: -145.539664
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -43.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -495.793415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.793415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.793415 (E_RNA)
where:
Base-Base interactions energy: -354.810
where: short stacking energy: -131.695
Base-Backbone interact. energy: 0.118
local terms energy: -141.101846
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -36.336
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: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -454.753248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.753248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.753248 (E_RNA)
where:
Base-Base interactions energy: -322.607
where: short stacking energy: -116.256
Base-Backbone interact. energy: -0.309
local terms energy: -131.837162
where:
bonds (distance) C4'-P energy: -27.387
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -32.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -339.908301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.908301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.908301 (E_RNA)
where:
Base-Base interactions energy: -234.428
where: short stacking energy: -94.379
Base-Backbone interact. energy: 0.946
local terms energy: -106.425586
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -199.131770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.131770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.131770 (E_RNA)
where:
Base-Base interactions energy: -97.812
where: short stacking energy: -40.774
Base-Backbone interact. energy: -1.890
local terms energy: -99.429756
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -6.205
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: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -181.120782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.120782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.120782 (E_RNA)
where:
Base-Base interactions energy: -107.269
where: short stacking energy: -48.362
Base-Backbone interact. energy: 1.775
local terms energy: -75.627485
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -148.536188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.536188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.536188 (E_RNA)
where:
Base-Base interactions energy: -58.936
where: short stacking energy: -41.309
Base-Backbone interact. energy: -0.502
local terms energy: -89.834304
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -13.224
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: 0.736 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -127.281975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.281975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.281975 (E_RNA)
where:
Base-Base interactions energy: -46.552
where: short stacking energy: -32.474
Base-Backbone interact. energy: -0.375
local terms energy: -80.355568
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: 4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -550.491207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.491207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.491207 (E_RNA)
where:
Base-Base interactions energy: -382.703
where: short stacking energy: -152.352
Base-Backbone interact. energy: -0.280
local terms energy: -167.508606
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -28.435
tors. eta vs tors. theta energy: -46.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -537.948627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.948627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.948627 (E_RNA)
where:
Base-Base interactions energy: -387.363
where: short stacking energy: -150.047
Base-Backbone interact. energy: -0.002
local terms energy: -150.583094
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -45.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -522.623714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.623714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.623714 (E_RNA)
where:
Base-Base interactions energy: -385.562
where: short stacking energy: -147.258
Base-Backbone interact. energy: -0.009
local terms energy: -137.052805
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -27.339
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -45.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -483.214124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.214124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.214124 (E_RNA)
where:
Base-Base interactions energy: -344.930
where: short stacking energy: -138.961
Base-Backbone interact. energy: -0.171
local terms energy: -138.113089
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -42.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -454.947089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.947089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.947089 (E_RNA)
where:
Base-Base interactions energy: -316.623
where: short stacking energy: -116.977
Base-Backbone interact. energy: -0.162
local terms energy: -138.162249
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -29.192
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -33.145
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: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -342.677316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.677316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.677316 (E_RNA)
where:
Base-Base interactions energy: -226.545
where: short stacking energy: -91.816
Base-Backbone interact. energy: -0.670
local terms energy: -115.462357
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -184.490189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490189 (E_RNA)
where:
Base-Base interactions energy: -94.927
where: short stacking energy: -42.399
Base-Backbone interact. energy: -0.097
local terms energy: -90.751498
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.285 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -142.205383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.205383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.205383 (E_RNA)
where:
Base-Base interactions energy: -48.719
where: short stacking energy: -40.844
Base-Backbone interact. energy: -0.268
local terms energy: -93.218364
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -137.807351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.807351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.807351 (E_RNA)
where:
Base-Base interactions energy: -46.168
where: short stacking energy: -29.709
Base-Backbone interact. energy: -0.782
local terms energy: -90.857075
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -114.073314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.073314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.073314 (E_RNA)
where:
Base-Base interactions energy: -53.747
where: short stacking energy: -13.496
Base-Backbone interact. energy: -1.225
local terms energy: -59.144287
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: 7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.043 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -552.733825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.733825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.733825 (E_RNA)
where:
Base-Base interactions energy: -389.406
where: short stacking energy: -146.650
Base-Backbone interact. energy: -0.000
local terms energy: -163.327825
where:
bonds (distance) C4'-P energy: -29.068
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -25.666
tors. eta vs tors. theta energy: -46.815
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: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -546.704909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.704909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.704909 (E_RNA)
where:
Base-Base interactions energy: -390.147
where: short stacking energy: -159.048
Base-Backbone interact. energy: -0.001
local terms energy: -156.556982
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -21.699
tors. eta vs tors. theta energy: -46.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -524.688515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.688515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.688515 (E_RNA)
where:
Base-Base interactions energy: -374.472
where: short stacking energy: -144.614
Base-Backbone interact. energy: -0.001
local terms energy: -150.215538
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -43.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -529.768836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.768836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.768836 (E_RNA)
where:
Base-Base interactions energy: -377.918
where: short stacking energy: -149.678
Base-Backbone interact. energy: -0.002
local terms energy: -151.849183
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -44.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -449.909120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.909120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.909120 (E_RNA)
where:
Base-Base interactions energy: -312.222
where: short stacking energy: -118.065
Base-Backbone interact. energy: -0.176
local terms energy: -137.511563
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -30.913
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: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -335.882421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.882421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.882421 (E_RNA)
where:
Base-Base interactions energy: -225.344
where: short stacking energy: -88.963
Base-Backbone interact. energy: -1.096
local terms energy: -109.441927
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -152.516663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.516663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.516663 (E_RNA)
where:
Base-Base interactions energy: -75.282
where: short stacking energy: -39.446
Base-Backbone interact. energy: -0.619
local terms energy: -76.615240
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -206.209872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.209872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.209872 (E_RNA)
where:
Base-Base interactions energy: -89.058
where: short stacking energy: -48.327
Base-Backbone interact. energy: -0.801
local terms energy: -116.350610
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -26.129
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -15.949
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: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -124.294693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.294693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.294693 (E_RNA)
where:
Base-Base interactions energy: -49.352
where: short stacking energy: -35.559
Base-Backbone interact. energy: -0.978
local terms energy: -74.279287
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -10.531
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: 0.315 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -135.819955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.819955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.819955 (E_RNA)
where:
Base-Base interactions energy: -56.337
where: short stacking energy: -35.577
Base-Backbone interact. energy: -0.355
local terms energy: -79.128243
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -540.297321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.297321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.297321 (E_RNA)
where:
Base-Base interactions energy: -395.535
where: short stacking energy: -147.945
Base-Backbone interact. energy: -0.001
local terms energy: -144.762062
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -44.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -537.916437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.916437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.916437 (E_RNA)
where:
Base-Base interactions energy: -390.578
where: short stacking energy: -153.703
Base-Backbone interact. energy: -0.001
local terms energy: -147.336989
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -48.244
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: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -526.315531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.315531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.315531 (E_RNA)
where:
Base-Base interactions energy: -384.062
where: short stacking energy: -147.945
Base-Backbone interact. energy: -0.038
local terms energy: -142.215414
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -45.024
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: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -526.459466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.459466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.459466 (E_RNA)
where:
Base-Base interactions energy: -374.838
where: short stacking energy: -141.580
Base-Backbone interact. energy: -0.518
local terms energy: -151.103249
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -45.545
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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -453.211437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.211437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.211437 (E_RNA)
where:
Base-Base interactions energy: -320.174
where: short stacking energy: -127.013
Base-Backbone interact. energy: -0.094
local terms energy: -132.943104
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -31.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -335.404799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.404799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.404799 (E_RNA)
where:
Base-Base interactions energy: -220.655
where: short stacking energy: -93.962
Base-Backbone interact. energy: 3.673
local terms energy: -118.422355
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -26.883
flat angles C4'-P-C4' energy: -27.712
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -28.207
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: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -146.599331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.599331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.599331 (E_RNA)
where:
Base-Base interactions energy: -62.144
where: short stacking energy: -53.430
Base-Backbone interact. energy: -1.257
local terms energy: -83.197862
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -172.113954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.113954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.113954 (E_RNA)
where:
Base-Base interactions energy: -81.156
where: short stacking energy: -42.413
Base-Backbone interact. energy: -0.978
local terms energy: -92.305861
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -9.182
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: 2.327 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -122.085985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.085985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.085985 (E_RNA)
where:
Base-Base interactions energy: -38.346
where: short stacking energy: -21.282
Base-Backbone interact. energy: -1.318
local terms energy: -82.422244
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: 7.724
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: 37
Temperature: 1.350000
Total energy: -115.765059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.765059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.765059 (E_RNA)
where:
Base-Base interactions energy: -34.392
where: short stacking energy: -24.979
Base-Backbone interact. energy: 2.197
local terms energy: -83.570064
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: 4.860
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: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -546.214299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.214299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.214299 (E_RNA)
where:
Base-Base interactions energy: -395.427
where: short stacking energy: -151.739
Base-Backbone interact. energy: -0.000
local terms energy: -150.786699
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -50.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -539.840798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.840798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.840798 (E_RNA)
where:
Base-Base interactions energy: -388.347
where: short stacking energy: -150.627
Base-Backbone interact. energy: -0.001
local terms energy: -151.492354
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -25.846
tors. eta vs tors. theta energy: -47.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -542.206866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.206866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.206866 (E_RNA)
where:
Base-Base interactions energy: -384.884
where: short stacking energy: -147.955
Base-Backbone interact. energy: -0.672
local terms energy: -156.650517
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -29.734
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -46.844
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: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -517.196587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.196587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.196587 (E_RNA)
where:
Base-Base interactions energy: -379.683
where: short stacking energy: -149.311
Base-Backbone interact. energy: -0.001
local terms energy: -137.513129
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -43.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -503.113019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.113019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.113019 (E_RNA)
where:
Base-Base interactions energy: -358.837
where: short stacking energy: -135.212
Base-Backbone interact. energy: -0.001
local terms energy: -144.275301
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -43.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -324.266235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.266235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.266235 (E_RNA)
where:
Base-Base interactions energy: -210.417
where: short stacking energy: -89.683
Base-Backbone interact. energy: -0.426
local terms energy: -115.996971
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.573 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -161.223574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.223574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.223574 (E_RNA)
where:
Base-Base interactions energy: -78.594
where: short stacking energy: -39.541
Base-Backbone interact. energy: -0.117
local terms energy: -82.512922
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -11.143
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: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -140.763005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.763005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.763005 (E_RNA)
where:
Base-Base interactions energy: -66.841
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.323
local terms energy: -73.599298
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -15.372
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -131.519786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.519786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.519786 (E_RNA)
where:
Base-Base interactions energy: -46.851
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.572
local terms energy: -84.096842
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -170.880489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.880489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.880489 (E_RNA)
where:
Base-Base interactions energy: -87.498
where: short stacking energy: -34.192
Base-Backbone interact. energy: 1.555
local terms energy: -84.936970
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -29.350
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: 3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -555.860540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.860540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.860540 (E_RNA)
where:
Base-Base interactions energy: -395.784
where: short stacking energy: -153.370
Base-Backbone interact. energy: -0.000
local terms energy: -160.076594
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -49.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -541.258505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.258505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.258505 (E_RNA)
where:
Base-Base interactions energy: -379.321
where: short stacking energy: -148.029
Base-Backbone interact. energy: -0.000
local terms energy: -161.937155
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -30.783
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -47.975
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: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -527.131196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.131196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.131196 (E_RNA)
where:
Base-Base interactions energy: -380.410
where: short stacking energy: -146.535
Base-Backbone interact. energy: -0.012
local terms energy: -146.708577
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -27.656
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -46.260
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: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -525.061817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.061817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.061817 (E_RNA)
where:
Base-Base interactions energy: -379.236
where: short stacking energy: -147.682
Base-Backbone interact. energy: -0.007
local terms energy: -145.821357
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -45.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.003 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -518.172430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.172430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.172430 (E_RNA)
where:
Base-Base interactions energy: -363.547
where: short stacking energy: -132.588
Base-Backbone interact. energy: -0.011
local terms energy: -154.614656
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -24.092
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -336.293943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.293943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.293943 (E_RNA)
where:
Base-Base interactions energy: -218.196
where: short stacking energy: -95.145
Base-Backbone interact. energy: 0.007
local terms energy: -118.105526
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -26.752
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: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -163.676604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.676604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.676604 (E_RNA)
where:
Base-Base interactions energy: -53.043
where: short stacking energy: -36.634
Base-Backbone interact. energy: -1.334
local terms energy: -109.299724
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -140.259105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.259105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.259105 (E_RNA)
where:
Base-Base interactions energy: -54.873
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.916
local terms energy: -84.470660
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: 2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -127.162289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.162289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.162289 (E_RNA)
where:
Base-Base interactions energy: -66.657
where: short stacking energy: -31.683
Base-Backbone interact. energy: 4.060
local terms energy: -64.564733
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: 3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -239.778207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.778207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.778207 (E_RNA)
where:
Base-Base interactions energy: -165.615
where: short stacking energy: -64.130
Base-Backbone interact. energy: -2.049
local terms energy: -72.114019
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -11.394
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: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -547.313973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.313973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.313973 (E_RNA)
where:
Base-Base interactions energy: -390.416
where: short stacking energy: -152.142
Base-Backbone interact. energy: -0.001
local terms energy: -157.993498
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -32.588
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -47.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.096 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -540.715132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.715132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.715132 (E_RNA)
where:
Base-Base interactions energy: -387.346
where: short stacking energy: -149.071
Base-Backbone interact. energy: -0.006
local terms energy: -153.362956
where:
bonds (distance) C4'-P energy: -31.260
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -45.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -535.441024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.441024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.441024 (E_RNA)
where:
Base-Base interactions energy: -374.721
where: short stacking energy: -147.613
Base-Backbone interact. energy: -0.001
local terms energy: -160.719080
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -49.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -518.862974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.862974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.862974 (E_RNA)
where:
Base-Base interactions energy: -382.495
where: short stacking energy: -149.519
Base-Backbone interact. energy: -0.003
local terms energy: -138.791274
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -46.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.426 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -505.866791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.866791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.866791 (E_RNA)
where:
Base-Base interactions energy: -376.348
where: short stacking energy: -144.660
Base-Backbone interact. energy: -0.007
local terms energy: -129.511677
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -41.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -336.745997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.745997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.745997 (E_RNA)
where:
Base-Base interactions energy: -223.254
where: short stacking energy: -89.583
Base-Backbone interact. energy: -1.887
local terms energy: -111.604102
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -162.353689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.353689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.353689 (E_RNA)
where:
Base-Base interactions energy: -80.101
where: short stacking energy: -49.371
Base-Backbone interact. energy: 0.772
local terms energy: -83.025239
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -27.541
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -146.299671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.299671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.299671 (E_RNA)
where:
Base-Base interactions energy: -55.593
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.509
local terms energy: -90.197703
where:
bonds (distance) C4'-P energy: -25.231
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: 0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -259.183174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.183174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.183174 (E_RNA)
where:
Base-Base interactions energy: -172.544
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.391
local terms energy: -86.249100
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -9.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -114.930750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.930750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.930750 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.670
local terms energy: -80.383599
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -544.675462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.675462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.675462 (E_RNA)
where:
Base-Base interactions energy: -396.109
where: short stacking energy: -152.168
Base-Backbone interact. energy: -0.001
local terms energy: -148.857089
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -47.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.292 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -543.756550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.756550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.756550 (E_RNA)
where:
Base-Base interactions energy: -387.585
where: short stacking energy: -150.663
Base-Backbone interact. energy: -0.004
local terms energy: -156.167228
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -47.734
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: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -535.925680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.925680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.925680 (E_RNA)
where:
Base-Base interactions energy: -379.082
where: short stacking energy: -146.892
Base-Backbone interact. energy: -0.001
local terms energy: -156.842302
where:
bonds (distance) C4'-P energy: -31.051
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -47.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -518.091338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.091338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.091338 (E_RNA)
where:
Base-Base interactions energy: -373.058
where: short stacking energy: -143.745
Base-Backbone interact. energy: -0.009
local terms energy: -145.024589
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -27.659
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -41.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -513.108593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.108593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.108593 (E_RNA)
where:
Base-Base interactions energy: -381.422
where: short stacking energy: -144.199
Base-Backbone interact. energy: -0.007
local terms energy: -131.699903
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -44.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.020 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -339.086366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.086366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.086366 (E_RNA)
where:
Base-Base interactions energy: -216.593
where: short stacking energy: -91.303
Base-Backbone interact. energy: -0.361
local terms energy: -122.131904
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -140.024852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.024852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.024852 (E_RNA)
where:
Base-Base interactions energy: -48.111
where: short stacking energy: -32.853
Base-Backbone interact. energy: 0.124
local terms energy: -92.600761
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -9.919
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: 0.563 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -260.254787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.254787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.254787 (E_RNA)
where:
Base-Base interactions energy: -176.388
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.410
local terms energy: -83.457115
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -29.493
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -146.696803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.696803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.696803 (E_RNA)
where:
Base-Base interactions energy: -56.193
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.712
local terms energy: -89.791779
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -16.738
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: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -121.857578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.857578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.857578 (E_RNA)
where:
Base-Base interactions energy: -48.677
where: short stacking energy: -37.181
Base-Backbone interact. energy: 1.216
local terms energy: -74.396681
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -14.782
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: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -541.821454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.821454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.821454 (E_RNA)
where:
Base-Base interactions energy: -387.188
where: short stacking energy: -148.455
Base-Backbone interact. energy: -0.415
local terms energy: -156.823193
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -45.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.605 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -534.453564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.453564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.453564 (E_RNA)
where:
Base-Base interactions energy: -388.444
where: short stacking energy: -153.777
Base-Backbone interact. energy: -0.241
local terms energy: -145.971175
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -46.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.202 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -528.956937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.956937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.956937 (E_RNA)
where:
Base-Base interactions energy: -384.291
where: short stacking energy: -143.373
Base-Backbone interact. energy: -0.239
local terms energy: -144.427141
where:
bonds (distance) C4'-P energy: -25.839
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -23.857
tors. eta vs tors. theta energy: -42.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -538.062900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.062900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.062900 (E_RNA)
where:
Base-Base interactions energy: -387.117
where: short stacking energy: -147.645
Base-Backbone interact. energy: -0.002
local terms energy: -150.944154
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -47.428
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: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -499.525290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.525290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.525290 (E_RNA)
where:
Base-Base interactions energy: -363.439
where: short stacking energy: -136.685
Base-Backbone interact. energy: -0.000
local terms energy: -136.085808
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -42.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -333.920106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.920106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.920106 (E_RNA)
where:
Base-Base interactions energy: -218.517
where: short stacking energy: -88.843
Base-Backbone interact. energy: -0.700
local terms energy: -114.704072
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -332.437191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.437191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.437191 (E_RNA)
where:
Base-Base interactions energy: -214.975
where: short stacking energy: -81.021
Base-Backbone interact. energy: -0.172
local terms energy: -117.385312
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.095 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -144.556916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.556916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.556916 (E_RNA)
where:
Base-Base interactions energy: -54.490
where: short stacking energy: -44.322
Base-Backbone interact. energy: 2.895
local terms energy: -92.961711
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -17.869
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: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -138.452300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.452300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.452300 (E_RNA)
where:
Base-Base interactions energy: -60.518
where: short stacking energy: -12.765
Base-Backbone interact. energy: -1.791
local terms energy: -76.142837
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: 10.240
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: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -130.025515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025515 (E_RNA)
where:
Base-Base interactions energy: -52.149
where: short stacking energy: -34.222
Base-Backbone interact. energy: -0.866
local terms energy: -77.010415
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: 0.643
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: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -549.952108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.952108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.952108 (E_RNA)
where:
Base-Base interactions energy: -393.181
where: short stacking energy: -149.192
Base-Backbone interact. energy: -0.045
local terms energy: -156.726104
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -49.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -530.448364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.448364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.448364 (E_RNA)
where:
Base-Base interactions energy: -385.458
where: short stacking energy: -152.068
Base-Backbone interact. energy: -0.239
local terms energy: -144.751354
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -44.185
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: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -533.868510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.868510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.868510 (E_RNA)
where:
Base-Base interactions energy: -386.970
where: short stacking energy: -147.405
Base-Backbone interact. energy: -0.612
local terms energy: -146.286620
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -43.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -514.660506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.660506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.660506 (E_RNA)
where:
Base-Base interactions energy: -372.021
where: short stacking energy: -140.753
Base-Backbone interact. energy: -0.001
local terms energy: -143.025201
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -44.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.387 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -516.600025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.600025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.600025 (E_RNA)
where:
Base-Base interactions energy: -370.101
where: short stacking energy: -140.780
Base-Backbone interact. energy: -0.042
local terms energy: -146.457442
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -49.145
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: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -356.959926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.959926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.959926 (E_RNA)
where:
Base-Base interactions energy: -232.002
where: short stacking energy: -101.811
Base-Backbone interact. energy: -0.783
local terms energy: -124.175014
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -27.278
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -27.665
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: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -329.178193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.178193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.178193 (E_RNA)
where:
Base-Base interactions energy: -219.392
where: short stacking energy: -97.172
Base-Backbone interact. energy: 0.304
local terms energy: -110.090355
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -138.255246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.255246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.255246 (E_RNA)
where:
Base-Base interactions energy: -49.449
where: short stacking energy: -40.262
Base-Backbone interact. energy: -0.267
local terms energy: -88.538939
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -123.770721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.770721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.770721 (E_RNA)
where:
Base-Base interactions energy: -57.989
where: short stacking energy: -39.115
Base-Backbone interact. energy: -0.886
local terms energy: -64.895708
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: 11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -124.961805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.961805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.961805 (E_RNA)
where:
Base-Base interactions energy: -49.512
where: short stacking energy: -35.721
Base-Backbone interact. energy: 6.203
local terms energy: -81.652843
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -538.600857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.600857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.600857 (E_RNA)
where:
Base-Base interactions energy: -387.163
where: short stacking energy: -149.507
Base-Backbone interact. energy: -0.003
local terms energy: -151.904138
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -46.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.469 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -527.647381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.647381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.647381 (E_RNA)
where:
Base-Base interactions energy: -377.810
where: short stacking energy: -145.288
Base-Backbone interact. energy: -0.858
local terms energy: -148.979379
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -45.072
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: 44
Temperature: 1.000000
Total energy: -523.985793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.985793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.985793 (E_RNA)
where:
Base-Base interactions energy: -379.810
where: short stacking energy: -145.647
Base-Backbone interact. energy: -0.158
local terms energy: -145.934762
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -42.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.917 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -525.578968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.578968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.578968 (E_RNA)
where:
Base-Base interactions energy: -388.823
where: short stacking energy: -150.943
Base-Backbone interact. energy: -0.003
local terms energy: -136.753125
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -30.856
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -45.391
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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -498.491698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.491698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.491698 (E_RNA)
where:
Base-Base interactions energy: -361.769
where: short stacking energy: -142.659
Base-Backbone interact. energy: -0.575
local terms energy: -136.148515
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -47.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -347.212719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.212719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.212719 (E_RNA)
where:
Base-Base interactions energy: -244.107
where: short stacking energy: -97.537
Base-Backbone interact. energy: -0.575
local terms energy: -102.531204
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -29.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -347.232789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.232789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.232789 (E_RNA)
where:
Base-Base interactions energy: -238.386
where: short stacking energy: -84.755
Base-Backbone interact. energy: 1.245
local terms energy: -110.091566
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -31.013
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -13.966
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -126.729794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.729794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.729794 (E_RNA)
where:
Base-Base interactions energy: -47.852
where: short stacking energy: -33.715
Base-Backbone interact. energy: -0.829
local terms energy: -78.398230
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: 4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.349 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -159.067832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.067832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.067832 (E_RNA)
where:
Base-Base interactions energy: -79.635
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.309
local terms energy: -79.123699
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.942
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: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -131.298414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.298414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.298414 (E_RNA)
where:
Base-Base interactions energy: -49.314
where: short stacking energy: -40.431
Base-Backbone interact. energy: -0.156
local terms energy: -81.980242
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.151 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -540.907068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.907068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.907068 (E_RNA)
where:
Base-Base interactions energy: -393.404
where: short stacking energy: -151.646
Base-Backbone interact. energy: -0.634
local terms energy: -146.869459
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -44.183
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: 45
Temperature: 0.950000
Total energy: -538.132742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.132742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.132742 (E_RNA)
where:
Base-Base interactions energy: -387.223
where: short stacking energy: -155.049
Base-Backbone interact. energy: -0.056
local terms energy: -151.378887
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -46.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.525 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -528.558687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.558687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.558687 (E_RNA)
where:
Base-Base interactions energy: -377.996
where: short stacking energy: -146.317
Base-Backbone interact. energy: -0.001
local terms energy: -150.561844
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -47.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -521.253499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.253499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.253499 (E_RNA)
where:
Base-Base interactions energy: -377.937
where: short stacking energy: -142.625
Base-Backbone interact. energy: -0.041
local terms energy: -143.276312
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -45.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -516.156175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.156175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.156175 (E_RNA)
where:
Base-Base interactions energy: -381.504
where: short stacking energy: -142.692
Base-Backbone interact. energy: -0.022
local terms energy: -135.242689
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -43.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.613 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -375.727819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.727819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.727819 (E_RNA)
where:
Base-Base interactions energy: -259.845
where: short stacking energy: -102.930
Base-Backbone interact. energy: -0.682
local terms energy: -115.201438
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -26.120
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: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -334.723802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.723802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.723802 (E_RNA)
where:
Base-Base interactions energy: -220.682
where: short stacking energy: -86.207
Base-Backbone interact. energy: -0.329
local terms energy: -113.712596
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -27.659
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -22.896
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: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -165.542411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.542411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.542411 (E_RNA)
where:
Base-Base interactions energy: -78.189
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.414
local terms energy: -86.939924
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -121.305422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.305422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.305422 (E_RNA)
where:
Base-Base interactions energy: -56.251
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.646
local terms energy: -65.835440
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -11.044
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: 1.428 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -124.596911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.596911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.596911 (E_RNA)
where:
Base-Base interactions energy: -46.003
where: short stacking energy: -24.494
Base-Backbone interact. energy: -0.344
local terms energy: -78.249900
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -26.903
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: 1.301
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: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -549.802059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.802059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.802059 (E_RNA)
where:
Base-Base interactions energy: -396.634
where: short stacking energy: -152.268
Base-Backbone interact. energy: -0.721
local terms energy: -153.727305
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -30.771
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -47.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.280 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -535.794862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.794862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.794862 (E_RNA)
where:
Base-Base interactions energy: -384.675
where: short stacking energy: -148.500
Base-Backbone interact. energy: -0.002
local terms energy: -152.602321
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -44.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.485 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -529.980047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.980047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.980047 (E_RNA)
where:
Base-Base interactions energy: -383.281
where: short stacking energy: -145.931
Base-Backbone interact. energy: -0.001
local terms energy: -146.698843
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -46.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -513.322241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.322241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.322241 (E_RNA)
where:
Base-Base interactions energy: -355.910
where: short stacking energy: -141.889
Base-Backbone interact. energy: -0.636
local terms energy: -156.776749
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -43.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -517.415326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.415326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.415326 (E_RNA)
where:
Base-Base interactions energy: -381.235
where: short stacking energy: -147.664
Base-Backbone interact. energy: -0.247
local terms energy: -136.913010
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -24.954
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -43.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.980 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -368.537780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.537780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.537780 (E_RNA)
where:
Base-Base interactions energy: -263.068
where: short stacking energy: -100.607
Base-Backbone interact. energy: 0.057
local terms energy: -105.527082
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -27.708
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -354.426120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.426120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.426120 (E_RNA)
where:
Base-Base interactions energy: -246.616
where: short stacking energy: -98.934
Base-Backbone interact. energy: 1.054
local terms energy: -108.863641
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -27.926
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -154.719053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.719053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.719053 (E_RNA)
where:
Base-Base interactions energy: -78.787
where: short stacking energy: -43.346
Base-Backbone interact. energy: -0.261
local terms energy: -75.670244
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -140.004600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.004600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.004600 (E_RNA)
where:
Base-Base interactions energy: -41.915
where: short stacking energy: -28.998
Base-Backbone interact. energy: -0.015
local terms energy: -98.074517
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -17.505
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: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -121.564843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.564843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.564843 (E_RNA)
where:
Base-Base interactions energy: -50.675
where: short stacking energy: -43.805
Base-Backbone interact. energy: 1.288
local terms energy: -77.191935
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.014 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -544.050205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.050205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.050205 (E_RNA)
where:
Base-Base interactions energy: -388.391
where: short stacking energy: -153.683
Base-Backbone interact. energy: -0.000
local terms energy: -156.835612
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -48.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.177 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -525.755031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.755031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.755031 (E_RNA)
where:
Base-Base interactions energy: -380.550
where: short stacking energy: -145.125
Base-Backbone interact. energy: -0.018
local terms energy: -145.187548
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -46.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -539.703738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.703738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.703738 (E_RNA)
where:
Base-Base interactions energy: -394.933
where: short stacking energy: -149.234
Base-Backbone interact. energy: -0.007
local terms energy: -145.403477
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -44.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.640 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -526.214710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.214710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.214710 (E_RNA)
where:
Base-Base interactions energy: -378.380
where: short stacking energy: -144.874
Base-Backbone interact. energy: -0.547
local terms energy: -147.287606
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -47.586
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: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -507.311093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.311093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.311093 (E_RNA)
where:
Base-Base interactions energy: -360.681
where: short stacking energy: -136.597
Base-Backbone interact. energy: -0.042
local terms energy: -146.587293
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -40.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -378.279710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.279710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.279710 (E_RNA)
where:
Base-Base interactions energy: -263.336
where: short stacking energy: -95.592
Base-Backbone interact. energy: -0.772
local terms energy: -114.171903
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -364.503745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.503745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.503745 (E_RNA)
where:
Base-Base interactions energy: -244.631
where: short stacking energy: -102.560
Base-Backbone interact. energy: -0.556
local terms energy: -119.316775
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -135.272366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.272366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.272366 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.338
local terms energy: -91.775985
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -28.248
flat angles P-C4'-P energy: -14.431
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: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -126.294148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.294148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.294148 (E_RNA)
where:
Base-Base interactions energy: -61.590
where: short stacking energy: -37.216
Base-Backbone interact. energy: 0.947
local terms energy: -68.079259
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -6.103
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: 2.428 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -117.036417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.036417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.036417 (E_RNA)
where:
Base-Base interactions energy: -45.465
where: short stacking energy: -28.448
Base-Backbone interact. energy: -0.349
local terms energy: -71.222434
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -26.792
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: 10.067
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -548.603365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.603365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.603365 (E_RNA)
where:
Base-Base interactions energy: -393.049
where: short stacking energy: -152.978
Base-Backbone interact. energy: -0.011
local terms energy: -155.543427
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -45.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -549.873856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.873856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.873856 (E_RNA)
where:
Base-Base interactions energy: -392.439
where: short stacking energy: -151.767
Base-Backbone interact. energy: -0.123
local terms energy: -157.311981
where:
bonds (distance) C4'-P energy: -26.680
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -46.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -526.400798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.400798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.400798 (E_RNA)
where:
Base-Base interactions energy: -381.391
where: short stacking energy: -148.099
Base-Backbone interact. energy: -0.022
local terms energy: -151.019111
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -32.150
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -49.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 6.031 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -520.514496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.514496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.514496 (E_RNA)
where:
Base-Base interactions energy: -383.299
where: short stacking energy: -150.030
Base-Backbone interact. energy: -0.011
local terms energy: -137.204260
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -43.056
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: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -527.188823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.188823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.188823 (E_RNA)
where:
Base-Base interactions energy: -373.861
where: short stacking energy: -143.238
Base-Backbone interact. energy: -0.013
local terms energy: -153.315176
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -32.223
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -47.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -421.279378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.279378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.279378 (E_RNA)
where:
Base-Base interactions energy: -306.663
where: short stacking energy: -109.491
Base-Backbone interact. energy: 1.611
local terms energy: -116.226627
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -29.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -368.254541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.254541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.254541 (E_RNA)
where:
Base-Base interactions energy: -249.322
where: short stacking energy: -97.857
Base-Backbone interact. energy: 0.543
local terms energy: -119.514969
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -25.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -129.703872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.703872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.703872 (E_RNA)
where:
Base-Base interactions energy: -45.557
where: short stacking energy: -35.644
Base-Backbone interact. energy: 1.051
local terms energy: -85.197728
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -15.473
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: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -123.979478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.979478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.979478 (E_RNA)
where:
Base-Base interactions energy: -47.932
where: short stacking energy: -33.265
Base-Backbone interact. energy: 3.478
local terms energy: -80.112607
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.587 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -116.055683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.055683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.055683 (E_RNA)
where:
Base-Base interactions energy: -47.701
where: short stacking energy: -35.374
Base-Backbone interact. energy: 0.637
local terms energy: -70.866548
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -13.314
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: 1.875 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -542.736356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.736356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.736356 (E_RNA)
where:
Base-Base interactions energy: -384.271
where: short stacking energy: -153.247
Base-Backbone interact. energy: -0.166
local terms energy: -158.299300
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -31.810
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -48.076
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: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -523.240856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.240856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.240856 (E_RNA)
where:
Base-Base interactions energy: -374.001
where: short stacking energy: -144.680
Base-Backbone interact. energy: -0.412
local terms energy: -149.600260
where:
bonds (distance) C4'-P energy: -27.992
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -45.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.772 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -536.193579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.193579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.193579 (E_RNA)
where:
Base-Base interactions energy: -389.478
where: short stacking energy: -148.547
Base-Backbone interact. energy: -0.156
local terms energy: -146.559557
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -45.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -529.746676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.746676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.746676 (E_RNA)
where:
Base-Base interactions energy: -376.796
where: short stacking energy: -144.032
Base-Backbone interact. energy: -0.001
local terms energy: -152.949767
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -46.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -506.676510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.676510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.676510 (E_RNA)
where:
Base-Base interactions energy: -369.753
where: short stacking energy: -141.272
Base-Backbone interact. energy: -0.441
local terms energy: -136.483184
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -28.700
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -40.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -435.739077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.739077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.739077 (E_RNA)
where:
Base-Base interactions energy: -320.357
where: short stacking energy: -117.570
Base-Backbone interact. energy: -1.470
local terms energy: -113.911803
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -28.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -354.592934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.592934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.592934 (E_RNA)
where:
Base-Base interactions energy: -246.043
where: short stacking energy: -83.284
Base-Backbone interact. energy: -0.349
local terms energy: -108.200699
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -148.174704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.174704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.174704 (E_RNA)
where:
Base-Base interactions energy: -65.863
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.251
local terms energy: -82.060272
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -162.822040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.822040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.822040 (E_RNA)
where:
Base-Base interactions energy: -91.255
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.109
local terms energy: -71.457661
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -126.219982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.219982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.219982 (E_RNA)
where:
Base-Base interactions energy: -54.807
where: short stacking energy: -30.767
Base-Backbone interact. energy: 0.516
local terms energy: -71.928229
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -547.979844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.979844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.979844 (E_RNA)
where:
Base-Base interactions energy: -395.105
where: short stacking energy: -148.417
Base-Backbone interact. energy: -0.001
local terms energy: -152.873540
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -28.452
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -44.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -521.570972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.570972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.570972 (E_RNA)
where:
Base-Base interactions energy: -382.593
where: short stacking energy: -150.157
Base-Backbone interact. energy: -0.042
local terms energy: -138.936315
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -46.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -532.859460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.859460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.859460 (E_RNA)
where:
Base-Base interactions energy: -389.034
where: short stacking energy: -148.793
Base-Backbone interact. energy: -0.048
local terms energy: -143.777375
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -46.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -524.695710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.695710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.695710 (E_RNA)
where:
Base-Base interactions energy: -376.816
where: short stacking energy: -148.965
Base-Backbone interact. energy: -0.134
local terms energy: -147.745340
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -45.753
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: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -505.076461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.076461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.076461 (E_RNA)
where:
Base-Base interactions energy: -356.313
where: short stacking energy: -140.517
Base-Backbone interact. energy: -0.001
local terms energy: -148.762917
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -28.827
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -42.927
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -416.537248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.537248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.537248 (E_RNA)
where:
Base-Base interactions energy: -298.185
where: short stacking energy: -109.223
Base-Backbone interact. energy: 0.382
local terms energy: -118.734273
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -31.233
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: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -338.149971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.149971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.149971 (E_RNA)
where:
Base-Base interactions energy: -221.520
where: short stacking energy: -87.668
Base-Backbone interact. energy: -0.991
local terms energy: -115.639419
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -24.312
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -20.933
tors. eta vs tors. theta energy: -20.255
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: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -148.402111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.402111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.402111 (E_RNA)
where:
Base-Base interactions energy: -63.853
where: short stacking energy: -50.931
Base-Backbone interact. energy: -1.768
local terms energy: -83.512272
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -13.153
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: 0.732 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -138.094151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.094151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.094151 (E_RNA)
where:
Base-Base interactions energy: -59.648
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.372
local terms energy: -78.074087
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: 3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -130.527702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.527702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.527702 (E_RNA)
where:
Base-Base interactions energy: -75.734
where: short stacking energy: -45.337
Base-Backbone interact. energy: -0.238
local terms energy: -57.263681
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -13.447
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: 2.708 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -537.930900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.930900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.930900 (E_RNA)
where:
Base-Base interactions energy: -387.773
where: short stacking energy: -151.719
Base-Backbone interact. energy: -0.317
local terms energy: -149.840528
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -46.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -529.960044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.960044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.960044 (E_RNA)
where:
Base-Base interactions energy: -382.008
where: short stacking energy: -145.150
Base-Backbone interact. energy: -0.001
local terms energy: -148.276219
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -28.526
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -45.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.325 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -515.124204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.124204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.124204 (E_RNA)
where:
Base-Base interactions energy: -370.689
where: short stacking energy: -141.315
Base-Backbone interact. energy: -0.001
local terms energy: -145.807127
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: -44.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.373 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -520.879006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.879006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.879006 (E_RNA)
where:
Base-Base interactions energy: -370.997
where: short stacking energy: -141.193
Base-Backbone interact. energy: -0.001
local terms energy: -149.881250
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -46.097
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: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -497.693125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.693125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.693125 (E_RNA)
where:
Base-Base interactions energy: -355.300
where: short stacking energy: -141.705
Base-Backbone interact. energy: -0.054
local terms energy: -142.338388
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -43.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -425.926395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.926395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.926395 (E_RNA)
where:
Base-Base interactions energy: -299.923
where: short stacking energy: -110.614
Base-Backbone interact. energy: 0.432
local terms energy: -126.435126
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -27.408
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: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -348.525509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.525509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.525509 (E_RNA)
where:
Base-Base interactions energy: -244.743
where: short stacking energy: -101.287
Base-Backbone interact. energy: 0.239
local terms energy: -104.021019
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -136.399403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.399403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.399403 (E_RNA)
where:
Base-Base interactions energy: -46.084
where: short stacking energy: -35.217
Base-Backbone interact. energy: -1.033
local terms energy: -89.282037
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -124.297080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.297080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.297080 (E_RNA)
where:
Base-Base interactions energy: -43.507
where: short stacking energy: -34.010
Base-Backbone interact. energy: -0.313
local terms energy: -80.477449
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -15.046
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -123.989246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.989246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.989246 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -38.661
Base-Backbone interact. energy: -2.092
local terms energy: -71.163364
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: 5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.056 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -544.265576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.265576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.265576 (E_RNA)
where:
Base-Base interactions energy: -395.798
where: short stacking energy: -155.029
Base-Backbone interact. energy: -0.029
local terms energy: -148.438567
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -46.548
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: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -538.590122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.590122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.590122 (E_RNA)
where:
Base-Base interactions energy: -382.720
where: short stacking energy: -148.505
Base-Backbone interact. energy: -0.193
local terms energy: -155.676927
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -47.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -536.737007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.737007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.737007 (E_RNA)
where:
Base-Base interactions energy: -388.826
where: short stacking energy: -150.832
Base-Backbone interact. energy: -0.002
local terms energy: -147.909764
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -44.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -511.136673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.136673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.136673 (E_RNA)
where:
Base-Base interactions energy: -374.019
where: short stacking energy: -139.582
Base-Backbone interact. energy: -0.003
local terms energy: -137.114614
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -44.534
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: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -522.814975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.814975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.814975 (E_RNA)
where:
Base-Base interactions energy: -367.964
where: short stacking energy: -141.755
Base-Backbone interact. energy: -0.015
local terms energy: -154.835266
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -45.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -420.892826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.892826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.892826 (E_RNA)
where:
Base-Base interactions energy: -317.562
where: short stacking energy: -114.149
Base-Backbone interact. energy: 1.402
local terms energy: -104.732349
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -29.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -373.737367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.737367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.737367 (E_RNA)
where:
Base-Base interactions energy: -245.503
where: short stacking energy: -100.479
Base-Backbone interact. energy: -0.303
local terms energy: -127.931417
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -146.193175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.193175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.193175 (E_RNA)
where:
Base-Base interactions energy: -75.055
where: short stacking energy: -55.721
Base-Backbone interact. energy: -1.512
local terms energy: -69.625560
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -8.163
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: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -115.632419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.632419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.632419 (E_RNA)
where:
Base-Base interactions energy: -32.246
where: short stacking energy: -27.898
Base-Backbone interact. energy: 3.197
local terms energy: -86.583149
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -15.819
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: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -114.699850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.699850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.699850 (E_RNA)
where:
Base-Base interactions energy: -39.709
where: short stacking energy: -24.171
Base-Backbone interact. energy: 0.443
local terms energy: -75.433826
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: 3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -547.334909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.334909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.334909 (E_RNA)
where:
Base-Base interactions energy: -393.612
where: short stacking energy: -157.094
Base-Backbone interact. energy: -0.006
local terms energy: -153.717309
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -28.062
flat angles C4'-P-C4' energy: -32.324
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -48.151
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -539.744549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.744549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.744549 (E_RNA)
where:
Base-Base interactions energy: -382.013
where: short stacking energy: -148.676
Base-Backbone interact. energy: -0.043
local terms energy: -157.687787
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -45.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -535.882108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.882108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.882108 (E_RNA)
where:
Base-Base interactions energy: -376.841
where: short stacking energy: -148.271
Base-Backbone interact. energy: -0.011
local terms energy: -159.030592
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -47.585
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: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -535.099188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.099188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.099188 (E_RNA)
where:
Base-Base interactions energy: -383.168
where: short stacking energy: -148.221
Base-Backbone interact. energy: -0.002
local terms energy: -152.455196
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -46.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.525 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -508.647623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.647623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.647623 (E_RNA)
where:
Base-Base interactions energy: -367.663
where: short stacking energy: -142.145
Base-Backbone interact. energy: -0.793
local terms energy: -140.191831
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -47.334
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: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -393.133393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.133393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.133393 (E_RNA)
where:
Base-Base interactions energy: -274.333
where: short stacking energy: -108.269
Base-Backbone interact. energy: 4.033
local terms energy: -122.833060
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -432.050640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.050640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.050640 (E_RNA)
where:
Base-Base interactions energy: -308.914
where: short stacking energy: -111.973
Base-Backbone interact. energy: -0.432
local terms energy: -122.704574
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -146.892210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.892210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.892210 (E_RNA)
where:
Base-Base interactions energy: -54.321
where: short stacking energy: -40.455
Base-Backbone interact. energy: -1.030
local terms energy: -91.541363
where:
bonds (distance) C4'-P energy: -30.245
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -132.805901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.805901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.805901 (E_RNA)
where:
Base-Base interactions energy: -65.075
where: short stacking energy: -25.167
Base-Backbone interact. energy: -1.905
local terms energy: -65.825932
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: 7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -126.266506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.266506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.266506 (E_RNA)
where:
Base-Base interactions energy: -47.820
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.795
local terms energy: -78.756804
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.105 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -552.812522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.812522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.812522 (E_RNA)
where:
Base-Base interactions energy: -393.926
where: short stacking energy: -148.023
Base-Backbone interact. energy: -0.000
local terms energy: -158.886314
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -30.083
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -49.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -542.228777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.228777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.228777 (E_RNA)
where:
Base-Base interactions energy: -385.542
where: short stacking energy: -148.892
Base-Backbone interact. energy: -0.123
local terms energy: -156.564250
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -48.077
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: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -539.398501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.398501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.398501 (E_RNA)
where:
Base-Base interactions energy: -381.642
where: short stacking energy: -148.637
Base-Backbone interact. energy: -0.029
local terms energy: -157.727665
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -46.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -520.138717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.138717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.138717 (E_RNA)
where:
Base-Base interactions energy: -375.438
where: short stacking energy: -149.710
Base-Backbone interact. energy: -0.010
local terms energy: -144.690739
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -43.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -506.035075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.035075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.035075 (E_RNA)
where:
Base-Base interactions energy: -368.359
where: short stacking energy: -144.156
Base-Backbone interact. energy: -0.007
local terms energy: -137.669659
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -384.141865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.141865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.141865 (E_RNA)
where:
Base-Base interactions energy: -253.499
where: short stacking energy: -98.377
Base-Backbone interact. energy: 0.005
local terms energy: -130.647989
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -27.552
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: 54
Temperature: 1.200000
Total energy: -417.395516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.395516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.395516 (E_RNA)
where:
Base-Base interactions energy: -308.951
where: short stacking energy: -113.643
Base-Backbone interact. energy: 2.407
local terms energy: -110.851251
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -30.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -138.988734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.988734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.988734 (E_RNA)
where:
Base-Base interactions energy: -62.058
where: short stacking energy: -42.671
Base-Backbone interact. energy: -0.610
local terms energy: -76.320938
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -3.751
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: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -123.560547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.560547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.560547 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -37.480
Base-Backbone interact. energy: -0.311
local terms energy: -74.282408
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.740 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -109.017439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.017439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.017439 (E_RNA)
where:
Base-Base interactions energy: -40.476
where: short stacking energy: -35.769
Base-Backbone interact. energy: 4.973
local terms energy: -73.514237
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -548.451199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.451199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.451199 (E_RNA)
where:
Base-Base interactions energy: -383.364
where: short stacking energy: -149.073
Base-Backbone interact. energy: -0.001
local terms energy: -165.086757
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -47.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -547.097897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.097897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.097897 (E_RNA)
where:
Base-Base interactions energy: -395.717
where: short stacking energy: -152.182
Base-Backbone interact. energy: -0.002
local terms energy: -151.379239
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -47.983
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: 55
Temperature: 1.000000
Total energy: -533.607780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.607780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.607780 (E_RNA)
where:
Base-Base interactions energy: -388.176
where: short stacking energy: -149.941
Base-Backbone interact. energy: -0.000
local terms energy: -145.431950
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -46.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -531.338738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.338738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.338738 (E_RNA)
where:
Base-Base interactions energy: -375.559
where: short stacking energy: -148.387
Base-Backbone interact. energy: -0.040
local terms energy: -155.740195
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -47.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -507.865569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.865569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.865569 (E_RNA)
where:
Base-Base interactions energy: -374.501
where: short stacking energy: -144.559
Base-Backbone interact. energy: -0.024
local terms energy: -133.340180
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -403.203080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.203080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.203080 (E_RNA)
where:
Base-Base interactions energy: -277.964
where: short stacking energy: -112.155
Base-Backbone interact. energy: -0.106
local terms energy: -125.665072
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -32.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.532 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -407.533107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.533107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.533107 (E_RNA)
where:
Base-Base interactions energy: -299.885
where: short stacking energy: -103.509
Base-Backbone interact. energy: 0.951
local terms energy: -108.599562
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -31.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -151.873927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.873927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.873927 (E_RNA)
where:
Base-Base interactions energy: -73.178
where: short stacking energy: -47.276
Base-Backbone interact. energy: -1.102
local terms energy: -77.593805
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -133.277704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.277704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.277704 (E_RNA)
where:
Base-Base interactions energy: -39.671
where: short stacking energy: -30.564
Base-Backbone interact. energy: -1.992
local terms energy: -91.615385
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -139.101282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.101282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.101282 (E_RNA)
where:
Base-Base interactions energy: -58.207
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.267
local terms energy: -80.627438
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -6.575
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: 56
Temperature: 0.900000
Total energy: -543.967812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.967812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.967812 (E_RNA)
where:
Base-Base interactions energy: -387.154
where: short stacking energy: -150.485
Base-Backbone interact. energy: -0.000
local terms energy: -156.813430
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -45.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -536.768354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.768354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.768354 (E_RNA)
where:
Base-Base interactions energy: -388.228
where: short stacking energy: -151.268
Base-Backbone interact. energy: -0.042
local terms energy: -148.497847
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -47.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -536.513916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.513916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.513916 (E_RNA)
where:
Base-Base interactions energy: -389.057
where: short stacking energy: -150.736
Base-Backbone interact. energy: -0.027
local terms energy: -148.299268
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -45.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.869 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -539.718233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.718233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.718233 (E_RNA)
where:
Base-Base interactions energy: -382.230
where: short stacking energy: -149.857
Base-Backbone interact. energy: -0.002
local terms energy: -158.274599
where:
bonds (distance) C4'-P energy: -26.928
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -49.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.787 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -498.439622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.439622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.439622 (E_RNA)
where:
Base-Base interactions energy: -354.792
where: short stacking energy: -138.833
Base-Backbone interact. energy: -0.595
local terms energy: -143.052299
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -27.209
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -45.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -415.613182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.613182 (E_RNA)
where:
Base-Base interactions energy: -293.022
where: short stacking energy: -110.322
Base-Backbone interact. energy: -0.115
local terms energy: -122.476826
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -26.456
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -29.886
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: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -420.125576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.125576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.125576 (E_RNA)
where:
Base-Base interactions energy: -291.303
where: short stacking energy: -109.426
Base-Backbone interact. energy: 2.880
local terms energy: -131.703137
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -131.904694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.904694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.904694 (E_RNA)
where:
Base-Base interactions energy: -49.901
where: short stacking energy: -49.901
Base-Backbone interact. energy: -0.411
local terms energy: -81.592458
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -27.024
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -129.163104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.163104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.163104 (E_RNA)
where:
Base-Base interactions energy: -51.020
where: short stacking energy: -19.319
Base-Backbone interact. energy: -0.753
local terms energy: -77.390043
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -12.780
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: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -115.631857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.631857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.631857 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -27.145
Base-Backbone interact. energy: -1.528
local terms energy: -71.740055
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: 6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -537.580228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.580228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.580228 (E_RNA)
where:
Base-Base interactions energy: -379.299
where: short stacking energy: -146.642
Base-Backbone interact. energy: -0.163
local terms energy: -158.118518
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -46.114
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: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -533.885507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.885507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.885507 (E_RNA)
where:
Base-Base interactions energy: -377.259
where: short stacking energy: -139.165
Base-Backbone interact. energy: -0.001
local terms energy: -156.857411
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.232 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -528.843499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.843499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.843499 (E_RNA)
where:
Base-Base interactions energy: -372.197
where: short stacking energy: -145.274
Base-Backbone interact. energy: -0.016
local terms energy: -156.630244
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -49.633
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: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -537.336042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.336042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.336042 (E_RNA)
where:
Base-Base interactions energy: -384.148
where: short stacking energy: -151.990
Base-Backbone interact. energy: -0.000
local terms energy: -153.572586
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: -46.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -506.270474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.270474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.270474 (E_RNA)
where:
Base-Base interactions energy: -359.488
where: short stacking energy: -139.444
Base-Backbone interact. energy: -0.043
local terms energy: -146.739655
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -26.561
flat angles C4'-P-C4' energy: -29.110
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -40.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -430.977998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.977998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.977998 (E_RNA)
where:
Base-Base interactions energy: -296.156
where: short stacking energy: -111.402
Base-Backbone interact. energy: -0.290
local terms energy: -134.532212
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -33.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -386.205263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.205263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.205263 (E_RNA)
where:
Base-Base interactions energy: -266.674
where: short stacking energy: -104.083
Base-Backbone interact. energy: -0.720
local terms energy: -118.811337
where:
bonds (distance) C4'-P energy: -27.351
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -27.659
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -29.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -143.882575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.882575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.882575 (E_RNA)
where:
Base-Base interactions energy: -54.982
where: short stacking energy: -43.014
Base-Backbone interact. energy: 1.099
local terms energy: -89.999862
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -9.455
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -132.653618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.653618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.653618 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -44.349
Base-Backbone interact. energy: -0.751
local terms energy: -88.138703
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -8.773
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: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -131.979581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.979581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.979581 (E_RNA)
where:
Base-Base interactions energy: -59.144
where: short stacking energy: -34.242
Base-Backbone interact. energy: -0.333
local terms energy: -72.502727
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: 2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -546.469142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.469142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.469142 (E_RNA)
where:
Base-Base interactions energy: -391.081
where: short stacking energy: -156.716
Base-Backbone interact. energy: -0.001
local terms energy: -155.387434
where:
bonds (distance) C4'-P energy: -28.572
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -46.467
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: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -534.634045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.634045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.634045 (E_RNA)
where:
Base-Base interactions energy: -395.679
where: short stacking energy: -151.924
Base-Backbone interact. energy: -0.007
local terms energy: -140.075273
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -31.079
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -46.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.127 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -525.578699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.578699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.578699 (E_RNA)
where:
Base-Base interactions energy: -371.916
where: short stacking energy: -144.709
Base-Backbone interact. energy: -0.103
local terms energy: -153.559833
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -44.384
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: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -528.252246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.252246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.252246 (E_RNA)
where:
Base-Base interactions energy: -376.291
where: short stacking energy: -146.784
Base-Backbone interact. energy: -0.011
local terms energy: -152.186211
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -26.907
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -45.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.236 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -502.329017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.329017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.329017 (E_RNA)
where:
Base-Base interactions energy: -358.849
where: short stacking energy: -135.994
Base-Backbone interact. energy: -0.012
local terms energy: -143.468382
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -41.970
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: 58
Temperature: 1.150000
Total energy: -440.711862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.711862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.711862 (E_RNA)
where:
Base-Base interactions energy: -310.970
where: short stacking energy: -108.971
Base-Backbone interact. energy: -0.531
local terms energy: -129.210020
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -35.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -396.516878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.516878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.516878 (E_RNA)
where:
Base-Base interactions energy: -276.832
where: short stacking energy: -105.172
Base-Backbone interact. energy: 0.506
local terms energy: -120.191198
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -32.543
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -143.147084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.147084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.147084 (E_RNA)
where:
Base-Base interactions energy: -64.264
where: short stacking energy: -31.324
Base-Backbone interact. energy: 0.251
local terms energy: -79.133752
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: 2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -132.195064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.195064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.195064 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -26.314
Base-Backbone interact. energy: -0.491
local terms energy: -88.329345
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -14.144
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: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -124.759316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.759316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.759316 (E_RNA)
where:
Base-Base interactions energy: -36.476
where: short stacking energy: -33.834
Base-Backbone interact. energy: 0.364
local terms energy: -89.373939
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -16.160
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: 0.727 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -542.816347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.816347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.816347 (E_RNA)
where:
Base-Base interactions energy: -387.832
where: short stacking energy: -145.691
Base-Backbone interact. energy: -0.291
local terms energy: -154.692807
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -42.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -547.693740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.693740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.693740 (E_RNA)
where:
Base-Base interactions energy: -386.819
where: short stacking energy: -150.026
Base-Backbone interact. energy: -0.056
local terms energy: -160.818728
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -530.981284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.981284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.981284 (E_RNA)
where:
Base-Base interactions energy: -380.456
where: short stacking energy: -147.497
Base-Backbone interact. energy: -0.291
local terms energy: -151.726448
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -43.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.491 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -523.974408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.974408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.974408 (E_RNA)
where:
Base-Base interactions energy: -383.994
where: short stacking energy: -145.648
Base-Backbone interact. energy: -0.002
local terms energy: -139.978748
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -517.579327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.579327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.579327 (E_RNA)
where:
Base-Base interactions energy: -367.455
where: short stacking energy: -141.959
Base-Backbone interact. energy: -0.031
local terms energy: -150.093926
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -45.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -445.814492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.814492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.814492 (E_RNA)
where:
Base-Base interactions energy: -319.177
where: short stacking energy: -115.813
Base-Backbone interact. energy: 2.483
local terms energy: -129.119746
where:
bonds (distance) C4'-P energy: -24.142
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -27.505
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -30.320
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: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -415.638026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.638026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.638026 (E_RNA)
where:
Base-Base interactions energy: -286.205
where: short stacking energy: -119.062
Base-Backbone interact. energy: -0.526
local terms energy: -128.907522
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -38.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -148.366126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.366126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.366126 (E_RNA)
where:
Base-Base interactions energy: -52.903
where: short stacking energy: -50.798
Base-Backbone interact. energy: -0.879
local terms energy: -94.583328
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -124.551109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.551109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.551109 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.098
local terms energy: -84.874108
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -143.496307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.496307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.496307 (E_RNA)
where:
Base-Base interactions energy: -53.570
where: short stacking energy: -25.058
Base-Backbone interact. energy: 0.817
local terms energy: -90.743623
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -4.504
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: 60
Temperature: 0.900000
Total energy: -557.940753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.940753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.940753 (E_RNA)
where:
Base-Base interactions energy: -402.228
where: short stacking energy: -154.774
Base-Backbone interact. energy: -0.003
local terms energy: -155.709394
where:
bonds (distance) C4'-P energy: -28.841
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -22.571
tors. eta vs tors. theta energy: -48.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -543.878999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.878999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.878999 (E_RNA)
where:
Base-Base interactions energy: -391.087
where: short stacking energy: -152.446
Base-Backbone interact. energy: -0.004
local terms energy: -152.787210
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -27.343
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -49.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -532.266836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.266836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.266836 (E_RNA)
where:
Base-Base interactions energy: -386.957
where: short stacking energy: -154.321
Base-Backbone interact. energy: -0.797
local terms energy: -144.512671
where:
bonds (distance) C4'-P energy: -23.940
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -46.353
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: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -527.483538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.483538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.483538 (E_RNA)
where:
Base-Base interactions energy: -375.687
where: short stacking energy: -146.519
Base-Backbone interact. energy: -0.001
local terms energy: -151.795624
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -28.876
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -513.644597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.644597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.644597 (E_RNA)
where:
Base-Base interactions energy: -373.748
where: short stacking energy: -146.042
Base-Backbone interact. energy: -1.116
local terms energy: -138.780609
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -26.866
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -48.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -453.066583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.066583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.066583 (E_RNA)
where:
Base-Base interactions energy: -328.312
where: short stacking energy: -126.495
Base-Backbone interact. energy: -0.754
local terms energy: -124.000517
where:
bonds (distance) C4'-P energy: -26.597
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -32.073
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: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -438.570422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.570422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.570422 (E_RNA)
where:
Base-Base interactions energy: -318.287
where: short stacking energy: -119.308
Base-Backbone interact. energy: -0.214
local terms energy: -120.403366
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.334 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -137.362558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.362558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.362558 (E_RNA)
where:
Base-Base interactions energy: -56.522
where: short stacking energy: -42.186
Base-Backbone interact. energy: -0.048
local terms energy: -81.573538
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.781 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -128.810439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.810439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.810439 (E_RNA)
where:
Base-Base interactions energy: -50.055
where: short stacking energy: -40.520
Base-Backbone interact. energy: 0.544
local terms energy: -80.462939
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.163 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -138.236107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.236107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.236107 (E_RNA)
where:
Base-Base interactions energy: -53.264
where: short stacking energy: -48.241
Base-Backbone interact. energy: -0.357
local terms energy: -85.036905
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -544.957321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.957321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.957321 (E_RNA)
where:
Base-Base interactions energy: -385.450
where: short stacking energy: -149.333
Base-Backbone interact. energy: -0.212
local terms energy: -159.295177
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -27.335
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: -47.159
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: 61
Temperature: 0.950000
Total energy: -542.301062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.301062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.301062 (E_RNA)
where:
Base-Base interactions energy: -389.082
where: short stacking energy: -153.204
Base-Backbone interact. energy: -0.001
local terms energy: -153.218246
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -27.015
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -46.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -533.012158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.012158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.012158 (E_RNA)
where:
Base-Base interactions energy: -382.094
where: short stacking energy: -142.970
Base-Backbone interact. energy: -0.042
local terms energy: -150.875744
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -47.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -518.395974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.395974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.395974 (E_RNA)
where:
Base-Base interactions energy: -376.002
where: short stacking energy: -139.517
Base-Backbone interact. energy: -0.003
local terms energy: -142.390994
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -44.489
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: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -517.748137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.748137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.748137 (E_RNA)
where:
Base-Base interactions energy: -374.129
where: short stacking energy: -140.988
Base-Backbone interact. energy: -0.004
local terms energy: -143.615366
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -449.123265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.123265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.123265 (E_RNA)
where:
Base-Base interactions energy: -323.532
where: short stacking energy: -123.477
Base-Backbone interact. energy: -2.629
local terms energy: -122.961912
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -35.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -428.654157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.654157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.654157 (E_RNA)
where:
Base-Base interactions energy: -304.158
where: short stacking energy: -127.391
Base-Backbone interact. energy: -0.018
local terms energy: -126.505438
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -37.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.028 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -144.995548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.995548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.995548 (E_RNA)
where:
Base-Base interactions energy: -71.943
where: short stacking energy: -40.743
Base-Backbone interact. energy: 0.149
local terms energy: -73.201431
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: 5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -137.964785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.964785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.964785 (E_RNA)
where:
Base-Base interactions energy: -51.606
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.714
local terms energy: -85.645544
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -25.440
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -140.650003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.650003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.650003 (E_RNA)
where:
Base-Base interactions energy: -58.757
where: short stacking energy: -31.421
Base-Backbone interact. energy: 0.214
local terms energy: -82.106833
where:
bonds (distance) C4'-P energy: -26.683
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: 5.362
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: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -544.125265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.125265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.125265 (E_RNA)
where:
Base-Base interactions energy: -390.164
where: short stacking energy: -156.083
Base-Backbone interact. energy: -0.005
local terms energy: -153.956491
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -49.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -547.338030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.338030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.338030 (E_RNA)
where:
Base-Base interactions energy: -391.878
where: short stacking energy: -154.699
Base-Backbone interact. energy: -0.006
local terms energy: -155.454427
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -46.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -533.832974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.832974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.832974 (E_RNA)
where:
Base-Base interactions energy: -385.284
where: short stacking energy: -144.375
Base-Backbone interact. energy: -0.007
local terms energy: -148.541871
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: -45.580
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -516.800968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.800968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.800968 (E_RNA)
where:
Base-Base interactions energy: -377.944
where: short stacking energy: -141.864
Base-Backbone interact. energy: -0.401
local terms energy: -138.456455
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -44.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -461.102186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.102186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.102186 (E_RNA)
where:
Base-Base interactions energy: -330.404
where: short stacking energy: -118.165
Base-Backbone interact. energy: 1.351
local terms energy: -132.049074
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -33.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -498.362192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.362192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.362192 (E_RNA)
where:
Base-Base interactions energy: -366.913
where: short stacking energy: -142.643
Base-Backbone interact. energy: -0.128
local terms energy: -131.458638
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -37.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.138 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -432.470355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.470355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.470355 (E_RNA)
where:
Base-Base interactions energy: -312.638
where: short stacking energy: -127.199
Base-Backbone interact. energy: -0.285
local terms energy: -119.547508
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -35.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -130.718775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.718775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.718775 (E_RNA)
where:
Base-Base interactions energy: -52.167
where: short stacking energy: -40.265
Base-Backbone interact. energy: 0.901
local terms energy: -79.452803
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -18.872
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: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -145.488544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.488544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.488544 (E_RNA)
where:
Base-Base interactions energy: -58.301
where: short stacking energy: -48.444
Base-Backbone interact. energy: -0.306
local terms energy: -86.936983
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -120.473548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.473548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.473548 (E_RNA)
where:
Base-Base interactions energy: -44.394
where: short stacking energy: -41.076
Base-Backbone interact. energy: 0.216
local terms energy: -76.295520
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -12.092
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: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -534.557206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.557206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.557206 (E_RNA)
where:
Base-Base interactions energy: -384.241
where: short stacking energy: -146.846
Base-Backbone interact. energy: -0.184
local terms energy: -150.132026
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -539.305153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.305153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.305153 (E_RNA)
where:
Base-Base interactions energy: -384.731
where: short stacking energy: -147.409
Base-Backbone interact. energy: -0.620
local terms energy: -153.954389
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -47.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -541.368960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.368960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.368960 (E_RNA)
where:
Base-Base interactions energy: -387.154
where: short stacking energy: -147.674
Base-Backbone interact. energy: -0.073
local terms energy: -155.125889
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -27.818
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -48.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.984 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -516.021910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.021910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.021910 (E_RNA)
where:
Base-Base interactions energy: -373.151
where: short stacking energy: -141.654
Base-Backbone interact. energy: -0.002
local terms energy: -142.869158
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -44.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -462.268817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.268817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.268817 (E_RNA)
where:
Base-Base interactions energy: -330.153
where: short stacking energy: -117.493
Base-Backbone interact. energy: -1.034
local terms energy: -131.082277
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -36.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -501.359811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.359811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.359811 (E_RNA)
where:
Base-Base interactions energy: -355.128
where: short stacking energy: -137.893
Base-Backbone interact. energy: -0.071
local terms energy: -146.160797
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -43.961
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: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -433.194742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.194742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.194742 (E_RNA)
where:
Base-Base interactions energy: -314.657
where: short stacking energy: -123.834
Base-Backbone interact. energy: -0.079
local terms energy: -118.814044
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -31.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -139.287836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.287836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.287836 (E_RNA)
where:
Base-Base interactions energy: -52.620
where: short stacking energy: -45.765
Base-Backbone interact. energy: 1.306
local terms energy: -87.973841
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -149.314755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.314755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.314755 (E_RNA)
where:
Base-Base interactions energy: -63.836
where: short stacking energy: -46.712
Base-Backbone interact. energy: -0.191
local terms energy: -85.287357
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -133.561350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.561350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.561350 (E_RNA)
where:
Base-Base interactions energy: -46.484
where: short stacking energy: -45.221
Base-Backbone interact. energy: -0.422
local terms energy: -86.655322
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -4.462
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: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -546.931021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.931021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.931021 (E_RNA)
where:
Base-Base interactions energy: -385.852
where: short stacking energy: -149.493
Base-Backbone interact. energy: 0.052
local terms energy: -161.130902
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -47.538
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: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -534.929760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.929760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.929760 (E_RNA)
where:
Base-Base interactions energy: -387.727
where: short stacking energy: -150.169
Base-Backbone interact. energy: -0.003
local terms energy: -147.199747
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -44.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -540.959110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.959110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.959110 (E_RNA)
where:
Base-Base interactions energy: -392.978
where: short stacking energy: -153.594
Base-Backbone interact. energy: -0.122
local terms energy: -148.670291
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -30.983
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -47.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.812 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -529.996788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.996788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.996788 (E_RNA)
where:
Base-Base interactions energy: -373.717
where: short stacking energy: -145.089
Base-Backbone interact. energy: -0.559
local terms energy: -155.720842
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -48.612
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: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -523.682900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.682900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.682900 (E_RNA)
where:
Base-Base interactions energy: -375.215
where: short stacking energy: -143.079
Base-Backbone interact. energy: 1.351
local terms energy: -149.818918
where:
bonds (distance) C4'-P energy: -29.167
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -44.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -454.547530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.547530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.547530 (E_RNA)
where:
Base-Base interactions energy: -329.572
where: short stacking energy: -120.278
Base-Backbone interact. energy: 2.552
local terms energy: -127.553024
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -28.035
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -35.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.025 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -431.476517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.476517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.476517 (E_RNA)
where:
Base-Base interactions energy: -298.252
where: short stacking energy: -113.170
Base-Backbone interact. energy: -1.415
local terms energy: -131.809862
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -31.413
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -33.635
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: 64
Temperature: 1.250000
Total energy: -139.982734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.982734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.982734 (E_RNA)
where:
Base-Base interactions energy: -47.507
where: short stacking energy: -36.241
Base-Backbone interact. energy: -0.544
local terms energy: -91.931922
where:
bonds (distance) C4'-P energy: -29.250
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -124.757379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.757379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.757379 (E_RNA)
where:
Base-Base interactions energy: -53.560
where: short stacking energy: -45.214
Base-Backbone interact. energy: -0.539
local terms energy: -70.658564
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -133.632121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.632121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.632121 (E_RNA)
where:
Base-Base interactions energy: -54.040
where: short stacking energy: -44.697
Base-Backbone interact. energy: -1.634
local terms energy: -77.958073
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -547.272070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.272070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.272070 (E_RNA)
where:
Base-Base interactions energy: -390.552
where: short stacking energy: -146.783
Base-Backbone interact. energy: -0.001
local terms energy: -157.234595
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -32.193
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -47.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.516 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -542.139033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.139033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.139033 (E_RNA)
where:
Base-Base interactions energy: -390.117
where: short stacking energy: -155.076
Base-Backbone interact. energy: -0.028
local terms energy: -152.490953
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.497 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -536.026539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.026539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.026539 (E_RNA)
where:
Base-Base interactions energy: -388.069
where: short stacking energy: -148.153
Base-Backbone interact. energy: -0.743
local terms energy: -147.214677
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -46.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -521.107289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.107289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.107289 (E_RNA)
where:
Base-Base interactions energy: -381.802
where: short stacking energy: -149.645
Base-Backbone interact. energy: -0.240
local terms energy: -141.231387
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -48.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.166 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -507.407154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.407154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.407154 (E_RNA)
where:
Base-Base interactions energy: -369.042
where: short stacking energy: -141.443
Base-Backbone interact. energy: 1.622
local terms energy: -139.986968
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -45.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -453.558755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.558755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.558755 (E_RNA)
where:
Base-Base interactions energy: -335.874
where: short stacking energy: -130.209
Base-Backbone interact. energy: -0.972
local terms energy: -116.787156
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -37.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.075 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -436.001199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.001199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.001199 (E_RNA)
where:
Base-Base interactions energy: -329.870
where: short stacking energy: -122.415
Base-Backbone interact. energy: -0.887
local terms energy: -105.514552
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.271 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -136.465885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.465885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.465885 (E_RNA)
where:
Base-Base interactions energy: -42.589
where: short stacking energy: -42.589
Base-Backbone interact. energy: 0.905
local terms energy: -94.782486
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -132.806635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.806635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.806635 (E_RNA)
where:
Base-Base interactions energy: -47.543
where: short stacking energy: -47.543
Base-Backbone interact. energy: -0.101
local terms energy: -85.162283
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -8.724
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: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -124.146355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.146355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.146355 (E_RNA)
where:
Base-Base interactions energy: -52.715
where: short stacking energy: -46.192
Base-Backbone interact. energy: -0.037
local terms energy: -71.394917
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: 1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -548.817791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.817791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.817791 (E_RNA)
where:
Base-Base interactions energy: -392.394
where: short stacking energy: -152.628
Base-Backbone interact. energy: -0.000
local terms energy: -156.423101
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -540.136222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.136222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.136222 (E_RNA)
where:
Base-Base interactions energy: -389.423
where: short stacking energy: -150.486
Base-Backbone interact. energy: -0.002
local terms energy: -150.711329
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -45.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -518.694348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.694348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.694348 (E_RNA)
where:
Base-Base interactions energy: -374.040
where: short stacking energy: -142.674
Base-Backbone interact. energy: 0.358
local terms energy: -145.012425
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -29.960
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -42.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -527.719068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.719068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.719068 (E_RNA)
where:
Base-Base interactions energy: -377.880
where: short stacking energy: -149.881
Base-Backbone interact. energy: -0.098
local terms energy: -149.740731
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -45.428
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: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -446.455044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.455044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.455044 (E_RNA)
where:
Base-Base interactions energy: -320.415
where: short stacking energy: -114.726
Base-Backbone interact. energy: -0.355
local terms energy: -126.371299
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -35.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.686 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -513.861004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.861004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.861004 (E_RNA)
where:
Base-Base interactions energy: -356.285
where: short stacking energy: -139.900
Base-Backbone interact. energy: -0.001
local terms energy: -157.574134
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -45.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -432.397979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.397979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.397979 (E_RNA)
where:
Base-Base interactions energy: -312.519
where: short stacking energy: -116.681
Base-Backbone interact. energy: -0.362
local terms energy: -119.516456
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -32.693
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: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -136.717810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.717810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.717810 (E_RNA)
where:
Base-Base interactions energy: -66.696
where: short stacking energy: -43.767
Base-Backbone interact. energy: 0.010
local terms energy: -70.031058
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: 0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -195.140672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.140672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.140672 (E_RNA)
where:
Base-Base interactions energy: -93.764
where: short stacking energy: -53.536
Base-Backbone interact. energy: -0.701
local terms energy: -100.675335
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -124.347824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.347824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.347824 (E_RNA)
where:
Base-Base interactions energy: -52.853
where: short stacking energy: -27.105
Base-Backbone interact. energy: -1.606
local terms energy: -69.889036
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -27.876
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: 2.179
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: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -546.349012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.349012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.349012 (E_RNA)
where:
Base-Base interactions energy: -398.692
where: short stacking energy: -159.335
Base-Backbone interact. energy: -0.000
local terms energy: -147.966705
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -47.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.310 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -540.759580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.759580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.759580 (E_RNA)
where:
Base-Base interactions energy: -389.813
where: short stacking energy: -147.044
Base-Backbone interact. energy: -0.004
local terms energy: -151.709982
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -45.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.767 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -521.503713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.503713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.503713 (E_RNA)
where:
Base-Base interactions energy: -372.992
where: short stacking energy: -141.422
Base-Backbone interact. energy: -0.031
local terms energy: -148.481306
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -30.723
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -44.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -525.003567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.003567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.003567 (E_RNA)
where:
Base-Base interactions energy: -375.466
where: short stacking energy: -143.028
Base-Backbone interact. energy: -0.005
local terms energy: -149.532089
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -45.411
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: 67
Temperature: 1.100000
Total energy: -457.285249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.285249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.285249 (E_RNA)
where:
Base-Base interactions energy: -322.414
where: short stacking energy: -118.698
Base-Backbone interact. energy: -0.486
local terms energy: -134.385040
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -37.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -523.148455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.148455 (E_RNA)
where:
Base-Base interactions energy: -368.932
where: short stacking energy: -143.732
Base-Backbone interact. energy: -0.004
local terms energy: -154.212282
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -45.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -437.144032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.144032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.144032 (E_RNA)
where:
Base-Base interactions energy: -308.764
where: short stacking energy: -123.502
Base-Backbone interact. energy: -0.408
local terms energy: -127.971509
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -35.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -224.529531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.529531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.529531 (E_RNA)
where:
Base-Base interactions energy: -129.822
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.731
local terms energy: -93.976650
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -29.062
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -17.997
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: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -140.194139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.194139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.194139 (E_RNA)
where:
Base-Base interactions energy: -60.749
where: short stacking energy: -46.130
Base-Backbone interact. energy: -1.020
local terms energy: -79.368544
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.943 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -114.338283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.338283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.338283 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -27.645
Base-Backbone interact. energy: -0.194
local terms energy: -76.605153
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: 6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.489 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -542.400864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.400864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.400864 (E_RNA)
where:
Base-Base interactions energy: -382.565
where: short stacking energy: -151.319
Base-Backbone interact. energy: -0.290
local terms energy: -159.545520
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -28.011
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -47.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -546.515964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.515964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.515964 (E_RNA)
where:
Base-Base interactions energy: -395.907
where: short stacking energy: -153.949
Base-Backbone interact. energy: -0.011
local terms energy: -150.597888
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -46.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -539.842966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.842966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.842966 (E_RNA)
where:
Base-Base interactions energy: -388.423
where: short stacking energy: -150.070
Base-Backbone interact. energy: -0.443
local terms energy: -150.976986
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -49.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -520.294405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.294405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.294405 (E_RNA)
where:
Base-Base interactions energy: -378.371
where: short stacking energy: -146.568
Base-Backbone interact. energy: -0.247
local terms energy: -142.185873
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -24.181
tors. eta vs tors. theta energy: -45.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.509 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -508.791685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.791685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.791685 (E_RNA)
where:
Base-Base interactions energy: -362.991
where: short stacking energy: -139.765
Base-Backbone interact. energy: -0.100
local terms energy: -145.700600
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -40.037
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: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -476.184138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.184138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.184138 (E_RNA)
where:
Base-Base interactions energy: -353.358
where: short stacking energy: -133.247
Base-Backbone interact. energy: -0.072
local terms energy: -122.753906
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -43.506
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: 68
Temperature: 1.200000
Total energy: -429.200774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.200774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.200774 (E_RNA)
where:
Base-Base interactions energy: -310.485
where: short stacking energy: -113.263
Base-Backbone interact. energy: 0.147
local terms energy: -118.862726
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -32.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -200.500033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.500033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.500033 (E_RNA)
where:
Base-Base interactions energy: -105.925
where: short stacking energy: -61.481
Base-Backbone interact. energy: 2.951
local terms energy: -97.525980
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -133.277779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.277779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.277779 (E_RNA)
where:
Base-Base interactions energy: -51.925
where: short stacking energy: -31.466
Base-Backbone interact. energy: -0.705
local terms energy: -81.463634
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -18.324
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: 0.816 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -125.561001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.561001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.561001 (E_RNA)
where:
Base-Base interactions energy: -40.341
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.567
local terms energy: -85.203508
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -26.684
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -18.313
tors. eta vs tors. theta energy: 4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.551 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -539.931562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.931562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.931562 (E_RNA)
where:
Base-Base interactions energy: -393.802
where: short stacking energy: -154.622
Base-Backbone interact. energy: -0.043
local terms energy: -146.086473
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -25.478
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -45.836
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -550.625849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.625849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.625849 (E_RNA)
where:
Base-Base interactions energy: -394.650
where: short stacking energy: -158.874
Base-Backbone interact. energy: -0.020
local terms energy: -155.990228
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -24.913
tors. eta vs tors. theta energy: -48.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -538.744698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.744698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.744698 (E_RNA)
where:
Base-Base interactions energy: -383.485
where: short stacking energy: -148.041
Base-Backbone interact. energy: -0.587
local terms energy: -154.672476
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -44.486
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: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -520.166297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.166297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.166297 (E_RNA)
where:
Base-Base interactions energy: -385.553
where: short stacking energy: -152.223
Base-Backbone interact. energy: -0.037
local terms energy: -134.576371
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -46.535
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: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -518.791436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.791436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.791436 (E_RNA)
where:
Base-Base interactions energy: -368.986
where: short stacking energy: -142.525
Base-Backbone interact. energy: -0.008
local terms energy: -149.797431
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -29.479
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -44.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -499.258721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.258721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.258721 (E_RNA)
where:
Base-Base interactions energy: -365.655
where: short stacking energy: -142.414
Base-Backbone interact. energy: -0.183
local terms energy: -133.670781
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -43.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.249 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -422.228791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.228791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.228791 (E_RNA)
where:
Base-Base interactions energy: -307.352
where: short stacking energy: -119.100
Base-Backbone interact. energy: -0.321
local terms energy: -114.555687
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -29.341
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: 69
Temperature: 1.250000
Total energy: -202.292677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.292677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.292677 (E_RNA)
where:
Base-Base interactions energy: -116.333
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.510
local terms energy: -85.449575
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -7.389
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: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -128.295099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.295099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.295099 (E_RNA)
where:
Base-Base interactions energy: -56.252
where: short stacking energy: -35.876
Base-Backbone interact. energy: -0.225
local terms energy: -71.817847
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -10.692
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: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -120.696939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.696939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.696939 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -25.403
Base-Backbone interact. energy: -0.487
local terms energy: -80.329488
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: 4.602
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: 70
Temperature: 0.900000
Total energy: -539.712819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.712819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.712819 (E_RNA)
where:
Base-Base interactions energy: -393.142
where: short stacking energy: -151.907
Base-Backbone interact. energy: -0.001
local terms energy: -146.809583
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -44.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -535.577351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.577351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.577351 (E_RNA)
where:
Base-Base interactions energy: -381.042
where: short stacking energy: -152.580
Base-Backbone interact. energy: -0.001
local terms energy: -154.534423
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -49.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -536.329565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.329565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.329565 (E_RNA)
where:
Base-Base interactions energy: -384.724
where: short stacking energy: -152.177
Base-Backbone interact. energy: -0.071
local terms energy: -151.534652
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -33.589
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: -49.671
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: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -523.097004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.097004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.097004 (E_RNA)
where:
Base-Base interactions energy: -377.314
where: short stacking energy: -139.791
Base-Backbone interact. energy: -0.122
local terms energy: -145.660969
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -43.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -504.590842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.590842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.590842 (E_RNA)
where:
Base-Base interactions energy: -374.207
where: short stacking energy: -142.460
Base-Backbone interact. energy: -0.002
local terms energy: -131.902074
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.521 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -506.119970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.119970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.119970 (E_RNA)
where:
Base-Base interactions energy: -364.898
where: short stacking energy: -139.533
Base-Backbone interact. energy: -0.008
local terms energy: -141.213681
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -29.406
flat angles C4'-P-C4' energy: -25.940
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -44.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -432.939371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.939371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.939371 (E_RNA)
where:
Base-Base interactions energy: -313.985
where: short stacking energy: -120.577
Base-Backbone interact. energy: -0.170
local terms energy: -118.783761
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -29.585
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: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -203.461614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.461614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.461614 (E_RNA)
where:
Base-Base interactions energy: -109.387
where: short stacking energy: -54.210
Base-Backbone interact. energy: -1.843
local terms energy: -92.231363
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -142.876895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.876895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.876895 (E_RNA)
where:
Base-Base interactions energy: -53.701
where: short stacking energy: -46.874
Base-Backbone interact. energy: 0.639
local terms energy: -89.891158
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.077 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -118.434166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.434166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.434166 (E_RNA)
where:
Base-Base interactions energy: -47.999
where: short stacking energy: -38.559
Base-Backbone interact. energy: 2.447
local terms energy: -73.758879
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -13.011
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: 0.876 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -544.258220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.258220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.258220 (E_RNA)
where:
Base-Base interactions energy: -386.445
where: short stacking energy: -151.345
Base-Backbone interact. energy: -0.002
local terms energy: -157.811682
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -44.455
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: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -545.096020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.096020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.096020 (E_RNA)
where:
Base-Base interactions energy: -381.337
where: short stacking energy: -145.559
Base-Backbone interact. energy: -0.003
local terms energy: -163.756936
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -47.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -531.625131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.625131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.625131 (E_RNA)
where:
Base-Base interactions energy: -377.982
where: short stacking energy: -140.158
Base-Backbone interact. energy: -0.001
local terms energy: -153.641953
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -30.479
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -47.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -529.550526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.550526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.550526 (E_RNA)
where:
Base-Base interactions energy: -382.520
where: short stacking energy: -149.476
Base-Backbone interact. energy: -0.156
local terms energy: -146.874715
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -48.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -510.869630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.869630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.869630 (E_RNA)
where:
Base-Base interactions energy: -372.726
where: short stacking energy: -143.847
Base-Backbone interact. energy: 0.760
local terms energy: -138.903124
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -23.522
tors. eta vs tors. theta energy: -45.480
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: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -505.155461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.155461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.155461 (E_RNA)
where:
Base-Base interactions energy: -372.248
where: short stacking energy: -150.050
Base-Backbone interact. energy: 1.664
local terms energy: -134.572144
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -42.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -431.051706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.051706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.051706 (E_RNA)
where:
Base-Base interactions energy: -304.245
where: short stacking energy: -110.507
Base-Backbone interact. energy: -0.364
local terms energy: -126.442722
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -31.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -206.774532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.774532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.774532 (E_RNA)
where:
Base-Base interactions energy: -105.807
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.221
local terms energy: -100.746043
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -126.101793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.101793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.101793 (E_RNA)
where:
Base-Base interactions energy: -58.323
where: short stacking energy: -37.934
Base-Backbone interact. energy: 2.217
local terms energy: -69.995455
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -12.895
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: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -108.831372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.831372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.831372 (E_RNA)
where:
Base-Base interactions energy: -35.143
where: short stacking energy: -31.147
Base-Backbone interact. energy: -0.462
local terms energy: -73.226046
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: 12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -546.834684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.834684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.834684 (E_RNA)
where:
Base-Base interactions energy: -399.552
where: short stacking energy: -156.573
Base-Backbone interact. energy: -0.002
local terms energy: -147.281068
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -46.556
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: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -543.559619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.559619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.559619 (E_RNA)
where:
Base-Base interactions energy: -381.337
where: short stacking energy: -150.707
Base-Backbone interact. energy: -0.000
local terms energy: -162.266918
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -48.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -533.604520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.604520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.604520 (E_RNA)
where:
Base-Base interactions energy: -374.556
where: short stacking energy: -143.342
Base-Backbone interact. energy: -0.002
local terms energy: -159.046241
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -23.469
tors. eta vs tors. theta energy: -46.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -519.365812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.365812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.365812 (E_RNA)
where:
Base-Base interactions energy: -367.027
where: short stacking energy: -138.586
Base-Backbone interact. energy: -0.211
local terms energy: -152.127624
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -22.174
tors. eta vs tors. theta energy: -45.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -531.091175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.091175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.091175 (E_RNA)
where:
Base-Base interactions energy: -381.505
where: short stacking energy: -146.293
Base-Backbone interact. energy: -0.436
local terms energy: -149.657687
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -48.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.508 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -507.708767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.708767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.708767 (E_RNA)
where:
Base-Base interactions energy: -365.660
where: short stacking energy: -135.465
Base-Backbone interact. energy: -0.281
local terms energy: -141.767972
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -45.745
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: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -420.338878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.338878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.338878 (E_RNA)
where:
Base-Base interactions energy: -296.227
where: short stacking energy: -117.145
Base-Backbone interact. energy: -0.522
local terms energy: -123.590438
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -29.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -228.383352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.383352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.383352 (E_RNA)
where:
Base-Base interactions energy: -123.608
where: short stacking energy: -63.434
Base-Backbone interact. energy: 0.617
local terms energy: -105.392062
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -127.557693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.557693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.557693 (E_RNA)
where:
Base-Base interactions energy: -53.699
where: short stacking energy: -51.839
Base-Backbone interact. energy: -0.615
local terms energy: -74.566703
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.323 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -123.002744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.002744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.002744 (E_RNA)
where:
Base-Base interactions energy: -47.509
where: short stacking energy: -29.825
Base-Backbone interact. energy: 1.529
local terms energy: -77.022843
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -547.471649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.471649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.471649 (E_RNA)
where:
Base-Base interactions energy: -382.372
where: short stacking energy: -149.755
Base-Backbone interact. energy: -0.021
local terms energy: -165.078481
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -47.287
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: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -543.535877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.535877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.535877 (E_RNA)
where:
Base-Base interactions energy: -389.861
where: short stacking energy: -151.944
Base-Backbone interact. energy: -0.068
local terms energy: -153.607032
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -46.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -538.309112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.309112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.309112 (E_RNA)
where:
Base-Base interactions energy: -387.224
where: short stacking energy: -153.243
Base-Backbone interact. energy: -0.101
local terms energy: -151.109170
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -44.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.125 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -529.350224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.350224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.350224 (E_RNA)
where:
Base-Base interactions energy: -383.227
where: short stacking energy: -145.814
Base-Backbone interact. energy: -0.002
local terms energy: -146.120896
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -44.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -507.906843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.906843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.906843 (E_RNA)
where:
Base-Base interactions energy: -373.600
where: short stacking energy: -144.980
Base-Backbone interact. energy: -0.004
local terms energy: -135.918632
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -45.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.616 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -506.572758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.572758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.572758 (E_RNA)
where:
Base-Base interactions energy: -372.244
where: short stacking energy: -142.895
Base-Backbone interact. energy: -0.001
local terms energy: -134.327822
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -44.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -396.559888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.559888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.559888 (E_RNA)
where:
Base-Base interactions energy: -276.476
where: short stacking energy: -99.590
Base-Backbone interact. energy: -0.110
local terms energy: -119.973524
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -23.451
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: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -187.854652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.854652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.854652 (E_RNA)
where:
Base-Base interactions energy: -103.068
where: short stacking energy: -51.242
Base-Backbone interact. energy: 0.560
local terms energy: -85.346116
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -11.399
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: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -132.249209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.249209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.249209 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.170
local terms energy: -97.788065
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -26.279
flat angles P-C4'-P energy: -17.321
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: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -113.524897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.524897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.524897 (E_RNA)
where:
Base-Base interactions energy: -36.587
where: short stacking energy: -22.226
Base-Backbone interact. energy: -0.889
local terms energy: -76.048965
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -8.435
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: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -541.217424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.217424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.217424 (E_RNA)
where:
Base-Base interactions energy: -391.570
where: short stacking energy: -153.587
Base-Backbone interact. energy: -0.591
local terms energy: -149.056311
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -45.225
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: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -540.014697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.014697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.014697 (E_RNA)
where:
Base-Base interactions energy: -385.138
where: short stacking energy: -153.300
Base-Backbone interact. energy: -0.212
local terms energy: -154.664100
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -45.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -529.319398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.319398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.319398 (E_RNA)
where:
Base-Base interactions energy: -378.545
where: short stacking energy: -144.770
Base-Backbone interact. energy: -0.673
local terms energy: -150.476058
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -47.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.375 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -513.988728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.988728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.988728 (E_RNA)
where:
Base-Base interactions energy: -361.494
where: short stacking energy: -146.546
Base-Backbone interact. energy: -0.629
local terms energy: -151.865925
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -44.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -508.347832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.347832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.347832 (E_RNA)
where:
Base-Base interactions energy: -366.442
where: short stacking energy: -139.472
Base-Backbone interact. energy: -0.001
local terms energy: -141.905323
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -43.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -500.058896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.058896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.058896 (E_RNA)
where:
Base-Base interactions energy: -360.131
where: short stacking energy: -142.117
Base-Backbone interact. energy: 0.991
local terms energy: -144.421565
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -33.391
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -46.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.503 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -440.258377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.258377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.258377 (E_RNA)
where:
Base-Base interactions energy: -308.066
where: short stacking energy: -119.408
Base-Backbone interact. energy: 1.676
local terms energy: -133.868113
where:
bonds (distance) C4'-P energy: -24.744
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -35.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -182.272551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.272551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.272551 (E_RNA)
where:
Base-Base interactions energy: -93.268
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.535
local terms energy: -88.469996
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -9.713
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: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -141.658843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.658843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.658843 (E_RNA)
where:
Base-Base interactions energy: -54.057
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.591
local terms energy: -87.010649
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -116.950893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.950893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.950893 (E_RNA)
where:
Base-Base interactions energy: -51.257
where: short stacking energy: -24.004
Base-Backbone interact. energy: -2.566
local terms energy: -63.127592
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: 10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -549.217575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.217575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.217575 (E_RNA)
where:
Base-Base interactions energy: -387.856
where: short stacking energy: -149.634
Base-Backbone interact. energy: -0.281
local terms energy: -161.080574
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -27.010
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -46.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -552.343496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.343496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.343496 (E_RNA)
where:
Base-Base interactions energy: -385.769
where: short stacking energy: -150.962
Base-Backbone interact. energy: -0.001
local terms energy: -166.573515
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -27.115
tors. eta vs tors. theta energy: -49.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -530.704748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.704748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.704748 (E_RNA)
where:
Base-Base interactions energy: -382.690
where: short stacking energy: -144.852
Base-Backbone interact. energy: -0.793
local terms energy: -147.221506
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -43.281
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: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -525.747487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.747487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.747487 (E_RNA)
where:
Base-Base interactions energy: -377.888
where: short stacking energy: -144.171
Base-Backbone interact. energy: -0.007
local terms energy: -147.853147
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -32.894
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -44.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -509.520245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.520245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.520245 (E_RNA)
where:
Base-Base interactions energy: -357.252
where: short stacking energy: -139.395
Base-Backbone interact. energy: -0.610
local terms energy: -151.658210
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -43.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -506.169283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.169283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.169283 (E_RNA)
where:
Base-Base interactions energy: -363.775
where: short stacking energy: -136.298
Base-Backbone interact. energy: -0.409
local terms energy: -141.985539
where:
bonds (distance) C4'-P energy: -26.235
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -46.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -418.917142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.917142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.917142 (E_RNA)
where:
Base-Base interactions energy: -295.055
where: short stacking energy: -112.530
Base-Backbone interact. energy: -0.364
local terms energy: -123.498062
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -27.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -165.033255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.033255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.033255 (E_RNA)
where:
Base-Base interactions energy: -67.230
where: short stacking energy: -61.112
Base-Backbone interact. energy: 1.921
local terms energy: -99.724187
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -28.557
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -159.889714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.889714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.889714 (E_RNA)
where:
Base-Base interactions energy: -68.423
where: short stacking energy: -36.772
Base-Backbone interact. energy: 3.065
local terms energy: -94.531513
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -127.999104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.999104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.999104 (E_RNA)
where:
Base-Base interactions energy: -54.515
where: short stacking energy: -34.875
Base-Backbone interact. energy: 0.963
local terms energy: -74.446733
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -15.193
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: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -544.731855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.731855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.731855 (E_RNA)
where:
Base-Base interactions energy: -389.484
where: short stacking energy: -150.939
Base-Backbone interact. energy: -0.633
local terms energy: -154.614511
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -45.991
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: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -547.290178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.290178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.290178 (E_RNA)
where:
Base-Base interactions energy: -393.345
where: short stacking energy: -154.354
Base-Backbone interact. energy: -0.002
local terms energy: -154.008740
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -28.425
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -47.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.065 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -526.392841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.392841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.392841 (E_RNA)
where:
Base-Base interactions energy: -384.974
where: short stacking energy: -153.299
Base-Backbone interact. energy: -0.001
local terms energy: -141.417798
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -50.024
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: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -525.577218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.577218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.577218 (E_RNA)
where:
Base-Base interactions energy: -383.904
where: short stacking energy: -150.465
Base-Backbone interact. energy: -0.280
local terms energy: -142.095435
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -24.556
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -45.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.703 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -518.166325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.166325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.166325 (E_RNA)
where:
Base-Base interactions energy: -372.203
where: short stacking energy: -142.167
Base-Backbone interact. energy: -0.156
local terms energy: -146.432153
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -45.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.625 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -502.056868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.056868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.056868 (E_RNA)
where:
Base-Base interactions energy: -372.939
where: short stacking energy: -139.046
Base-Backbone interact. energy: -0.226
local terms energy: -128.891557
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -43.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -419.245493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.245493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.245493 (E_RNA)
where:
Base-Base interactions energy: -298.535
where: short stacking energy: -109.412
Base-Backbone interact. energy: -1.535
local terms energy: -120.572719
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -28.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.398 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -169.064372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.064372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.064372 (E_RNA)
where:
Base-Base interactions energy: -97.867
where: short stacking energy: -45.502
Base-Backbone interact. energy: 0.693
local terms energy: -71.889885
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 1.273
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: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -120.295332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.295332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.295332 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -28.687
Base-Backbone interact. energy: -0.501
local terms energy: -72.551737
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -131.518155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.518155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.518155 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -40.933
Base-Backbone interact. energy: -0.151
local terms energy: -86.623175
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -13.838
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: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -546.613203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.613203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.613203 (E_RNA)
where:
Base-Base interactions energy: -390.483
where: short stacking energy: -154.670
Base-Backbone interact. energy: -0.000
local terms energy: -156.130002
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -47.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -539.062438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.062438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.062438 (E_RNA)
where:
Base-Base interactions energy: -389.432
where: short stacking energy: -149.849
Base-Backbone interact. energy: -0.583
local terms energy: -149.047190
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -29.780
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -44.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -538.003022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.003022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.003022 (E_RNA)
where:
Base-Base interactions energy: -372.276
where: short stacking energy: -144.188
Base-Backbone interact. energy: -0.001
local terms energy: -165.726394
where:
bonds (distance) C4'-P energy: -33.378
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -46.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -521.484691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.484691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.484691 (E_RNA)
where:
Base-Base interactions energy: -375.716
where: short stacking energy: -145.501
Base-Backbone interact. energy: -0.001
local terms energy: -145.767639
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -47.871
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: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -522.728664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.728664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.728664 (E_RNA)
where:
Base-Base interactions energy: -378.967
where: short stacking energy: -147.570
Base-Backbone interact. energy: -0.037
local terms energy: -144.979011
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -49.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.254 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -498.106842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.106842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.106842 (E_RNA)
where:
Base-Base interactions energy: -364.083
where: short stacking energy: -138.548
Base-Backbone interact. energy: -0.003
local terms energy: -137.136433
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -48.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.116 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -416.090970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.090970 (E_RNA)
where:
Base-Base interactions energy: -296.631
where: short stacking energy: -109.996
Base-Backbone interact. energy: 1.764
local terms energy: -121.223394
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -31.872
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: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -147.052100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.052100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.052100 (E_RNA)
where:
Base-Base interactions energy: -68.259
where: short stacking energy: -49.786
Base-Backbone interact. energy: -0.262
local terms energy: -79.309671
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -25.828
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.778 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -125.646347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.646347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.646347 (E_RNA)
where:
Base-Base interactions energy: -44.986
where: short stacking energy: -30.316
Base-Backbone interact. energy: -1.360
local terms energy: -79.300319
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: 3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -122.730565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.730565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.730565 (E_RNA)
where:
Base-Base interactions energy: -48.957
where: short stacking energy: -39.974
Base-Backbone interact. energy: -1.738
local terms energy: -72.035994
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -550.964297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.964297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.964297 (E_RNA)
where:
Base-Base interactions energy: -402.413
where: short stacking energy: -157.515
Base-Backbone interact. energy: -0.002
local terms energy: -148.549904
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -44.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -540.846411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.846411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.846411 (E_RNA)
where:
Base-Base interactions energy: -379.646
where: short stacking energy: -152.892
Base-Backbone interact. energy: -0.523
local terms energy: -160.677810
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -47.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -529.537595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.537595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.537595 (E_RNA)
where:
Base-Base interactions energy: -380.359
where: short stacking energy: -146.676
Base-Backbone interact. energy: -0.004
local terms energy: -149.174765
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -41.849
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -524.576508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.576508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.576508 (E_RNA)
where:
Base-Base interactions energy: -380.811
where: short stacking energy: -148.898
Base-Backbone interact. energy: -0.001
local terms energy: -148.574231
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -31.837
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -47.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.810 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -507.982332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.982332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.982332 (E_RNA)
where:
Base-Base interactions energy: -368.231
where: short stacking energy: -139.469
Base-Backbone interact. energy: -0.045
local terms energy: -141.589601
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -28.620
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -42.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.884 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -493.684290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.684290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.684290 (E_RNA)
where:
Base-Base interactions energy: -365.879
where: short stacking energy: -146.816
Base-Backbone interact. energy: -0.017
local terms energy: -133.044422
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -43.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.256 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -415.422686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.422686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.422686 (E_RNA)
where:
Base-Base interactions energy: -300.992
where: short stacking energy: -106.719
Base-Backbone interact. energy: 0.203
local terms energy: -114.633160
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -146.291774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.291774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.291774 (E_RNA)
where:
Base-Base interactions energy: -69.212
where: short stacking energy: -33.180
Base-Backbone interact. energy: -0.367
local terms energy: -76.711926
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -129.425748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.425748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.425748 (E_RNA)
where:
Base-Base interactions energy: -48.518
where: short stacking energy: -45.238
Base-Backbone interact. energy: 1.151
local terms energy: -82.059059
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -27.137
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -129.856052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.856052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.856052 (E_RNA)
where:
Base-Base interactions energy: -54.008
where: short stacking energy: -41.096
Base-Backbone interact. energy: -0.914
local terms energy: -74.933285
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: 0.615
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: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -550.257196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.257196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.257196 (E_RNA)
where:
Base-Base interactions energy: -390.631
where: short stacking energy: -150.410
Base-Backbone interact. energy: -0.001
local terms energy: -159.624782
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -26.410
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -547.127997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.127997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.127997 (E_RNA)
where:
Base-Base interactions energy: -384.881
where: short stacking energy: -146.978
Base-Backbone interact. energy: -0.043
local terms energy: -162.204614
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -47.564
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -525.994471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.994471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.994471 (E_RNA)
where:
Base-Base interactions energy: -374.690
where: short stacking energy: -145.530
Base-Backbone interact. energy: -0.000
local terms energy: -151.303823
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -47.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -518.404104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.404104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.404104 (E_RNA)
where:
Base-Base interactions energy: -364.889
where: short stacking energy: -139.063
Base-Backbone interact. energy: -0.005
local terms energy: -153.510384
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -48.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -524.787171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.787171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.787171 (E_RNA)
where:
Base-Base interactions energy: -385.300
where: short stacking energy: -147.758
Base-Backbone interact. energy: -0.123
local terms energy: -139.363779
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -47.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -508.205231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.205231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.205231 (E_RNA)
where:
Base-Base interactions energy: -365.540
where: short stacking energy: -144.897
Base-Backbone interact. energy: -0.004
local terms energy: -143.736354
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -44.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.075 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -434.456536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.456536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.456536 (E_RNA)
where:
Base-Base interactions energy: -308.481
where: short stacking energy: -118.922
Base-Backbone interact. energy: -0.363
local terms energy: -125.612152
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -32.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -122.662806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.662806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.662806 (E_RNA)
where:
Base-Base interactions energy: -48.962
where: short stacking energy: -34.775
Base-Backbone interact. energy: -1.071
local terms energy: -72.630263
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -11.756
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: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -118.789592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.789592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.789592 (E_RNA)
where:
Base-Base interactions energy: -28.639
where: short stacking energy: -26.912
Base-Backbone interact. energy: -0.400
local terms energy: -90.625134
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -12.215
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: 0.874 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -112.027411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.027411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.027411 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.357
local terms energy: -79.961225
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: 6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.340 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -550.205297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.205297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.205297 (E_RNA)
where:
Base-Base interactions energy: -390.045
where: short stacking energy: -149.169
Base-Backbone interact. energy: -0.710
local terms energy: -159.709037
where:
bonds (distance) C4'-P energy: -26.951
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -48.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.258 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -540.361113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.361113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.361113 (E_RNA)
where:
Base-Base interactions energy: -379.584
where: short stacking energy: -144.939
Base-Backbone interact. energy: -0.010
local terms energy: -160.767445
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -45.019
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: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -541.988286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.988286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.988286 (E_RNA)
where:
Base-Base interactions energy: -389.278
where: short stacking energy: -150.432
Base-Backbone interact. energy: -0.008
local terms energy: -152.702466
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -33.936
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -46.617
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: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -535.113676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.113676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.113676 (E_RNA)
where:
Base-Base interactions energy: -379.924
where: short stacking energy: -140.945
Base-Backbone interact. energy: -0.000
local terms energy: -155.189495
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -46.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -511.665502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.665502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.665502 (E_RNA)
where:
Base-Base interactions energy: -365.235
where: short stacking energy: -137.190
Base-Backbone interact. energy: -0.022
local terms energy: -146.408325
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -45.356
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: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -501.228765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.228765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.228765 (E_RNA)
where:
Base-Base interactions energy: -367.579
where: short stacking energy: -138.925
Base-Backbone interact. energy: -0.004
local terms energy: -133.645437
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -26.164
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -41.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -415.662782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.662782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.662782 (E_RNA)
where:
Base-Base interactions energy: -301.870
where: short stacking energy: -104.123
Base-Backbone interact. energy: 0.772
local terms energy: -114.564833
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -26.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -132.318841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.318841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.318841 (E_RNA)
where:
Base-Base interactions energy: -49.033
where: short stacking energy: -44.264
Base-Backbone interact. energy: -0.135
local terms energy: -83.360434
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: 0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.209 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -136.107152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.107152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.107152 (E_RNA)
where:
Base-Base interactions energy: -41.587
where: short stacking energy: -38.043
Base-Backbone interact. energy: -0.073
local terms energy: -96.309130
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.862 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -113.709133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.709133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.709133 (E_RNA)
where:
Base-Base interactions energy: -38.709
where: short stacking energy: -33.335
Base-Backbone interact. energy: 0.850
local terms energy: -75.895708
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: 5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -533.879572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.879572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.879572 (E_RNA)
where:
Base-Base interactions energy: -392.183
where: short stacking energy: -151.780
Base-Backbone interact. energy: -0.004
local terms energy: -141.952533
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -45.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.260 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -535.496261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.496261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.496261 (E_RNA)
where:
Base-Base interactions energy: -377.627
where: short stacking energy: -143.158
Base-Backbone interact. energy: -0.018
local terms energy: -158.493902
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -46.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.643 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -532.743273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.743273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.743273 (E_RNA)
where:
Base-Base interactions energy: -386.200
where: short stacking energy: -150.255
Base-Backbone interact. energy: -0.280
local terms energy: -146.262806
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -46.270
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: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -532.006243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.006243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.006243 (E_RNA)
where:
Base-Base interactions energy: -393.066
where: short stacking energy: -147.649
Base-Backbone interact. energy: -0.028
local terms energy: -139.140208
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -45.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.228 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -514.181231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.181231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.181231 (E_RNA)
where:
Base-Base interactions energy: -374.359
where: short stacking energy: -138.035
Base-Backbone interact. energy: -0.002
local terms energy: -139.820650
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -42.065
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: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -493.740899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.740899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.740899 (E_RNA)
where:
Base-Base interactions energy: -368.489
where: short stacking energy: -145.147
Base-Backbone interact. energy: -0.007
local terms energy: -125.244637
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -40.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -421.935423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.935423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.935423 (E_RNA)
where:
Base-Base interactions energy: -302.235
where: short stacking energy: -118.391
Base-Backbone interact. energy: 2.975
local terms energy: -122.675367
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -27.840
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: 81
Temperature: 1.250000
Total energy: -137.256670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.256670 (E_RNA)
where:
Base-Base interactions energy: -46.194
where: short stacking energy: -38.504
Base-Backbone interact. energy: -0.808
local terms energy: -90.254758
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: 0.114
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -133.016248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.016248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.016248 (E_RNA)
where:
Base-Base interactions energy: -51.237
where: short stacking energy: -31.866
Base-Backbone interact. energy: 1.606
local terms energy: -83.385317
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -12.774
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: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -120.696253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.696253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.696253 (E_RNA)
where:
Base-Base interactions energy: -40.024
where: short stacking energy: -31.606
Base-Backbone interact. energy: 1.308
local terms energy: -81.979926
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: 1.975
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: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -547.840585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.840585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.840585 (E_RNA)
where:
Base-Base interactions energy: -388.909
where: short stacking energy: -150.425
Base-Backbone interact. energy: -0.001
local terms energy: -158.931260
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -30.312
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -48.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -525.942168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.942168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.942168 (E_RNA)
where:
Base-Base interactions energy: -377.934
where: short stacking energy: -144.685
Base-Backbone interact. energy: -0.105
local terms energy: -147.903794
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -43.983
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: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -526.059028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.059028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.059028 (E_RNA)
where:
Base-Base interactions energy: -375.026
where: short stacking energy: -143.661
Base-Backbone interact. energy: -0.002
local terms energy: -151.031730
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -46.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -525.082097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.082097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.082097 (E_RNA)
where:
Base-Base interactions energy: -375.843
where: short stacking energy: -142.599
Base-Backbone interact. energy: -0.160
local terms energy: -149.079014
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -31.176
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -44.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -519.077558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.077558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.077558 (E_RNA)
where:
Base-Base interactions energy: -363.502
where: short stacking energy: -139.996
Base-Backbone interact. energy: -0.339
local terms energy: -155.236842
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -23.520
tors. eta vs tors. theta energy: -47.761
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -501.378250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.378250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.378250 (E_RNA)
where:
Base-Base interactions energy: -368.704
where: short stacking energy: -142.863
Base-Backbone interact. energy: -0.041
local terms energy: -132.632733
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -43.130
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: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -413.661577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.661577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.661577 (E_RNA)
where:
Base-Base interactions energy: -293.641
where: short stacking energy: -112.476
Base-Backbone interact. energy: 1.942
local terms energy: -121.962924
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -30.110
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: 82
Temperature: 1.250000
Total energy: -142.712755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.712755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.712755 (E_RNA)
where:
Base-Base interactions energy: -46.544
where: short stacking energy: -34.927
Base-Backbone interact. energy: -0.595
local terms energy: -95.573757
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -131.246431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.246431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.246431 (E_RNA)
where:
Base-Base interactions energy: -53.637
where: short stacking energy: -48.592
Base-Backbone interact. energy: -0.508
local terms energy: -77.102053
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -129.037283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.037283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.037283 (E_RNA)
where:
Base-Base interactions energy: -53.562
where: short stacking energy: -34.845
Base-Backbone interact. energy: 0.350
local terms energy: -75.825190
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -556.571615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.571615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.571615 (E_RNA)
where:
Base-Base interactions energy: -394.434
where: short stacking energy: -152.253
Base-Backbone interact. energy: -0.042
local terms energy: -162.095687
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -48.398
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: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -531.402095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.402095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.402095 (E_RNA)
where:
Base-Base interactions energy: -374.929
where: short stacking energy: -144.706
Base-Backbone interact. energy: -0.001
local terms energy: -156.471921
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -47.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -520.691129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.691129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.691129 (E_RNA)
where:
Base-Base interactions energy: -374.827
where: short stacking energy: -149.745
Base-Backbone interact. energy: -0.043
local terms energy: -145.821199
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -527.365950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.365950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.365950 (E_RNA)
where:
Base-Base interactions energy: -370.142
where: short stacking energy: -148.283
Base-Backbone interact. energy: -0.003
local terms energy: -157.221735
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -49.672
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: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -505.750152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.750152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.750152 (E_RNA)
where:
Base-Base interactions energy: -361.809
where: short stacking energy: -137.978
Base-Backbone interact. energy: -0.001
local terms energy: -143.940196
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -46.107
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: 83
Temperature: 1.150000
Total energy: -509.544674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.544674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.544674 (E_RNA)
where:
Base-Base interactions energy: -370.292
where: short stacking energy: -138.554
Base-Backbone interact. energy: -0.632
local terms energy: -138.621205
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -44.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -410.524163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.524163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.524163 (E_RNA)
where:
Base-Base interactions energy: -298.110
where: short stacking energy: -109.130
Base-Backbone interact. energy: -0.372
local terms energy: -112.041763
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -139.202664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.202664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.202664 (E_RNA)
where:
Base-Base interactions energy: -44.312
where: short stacking energy: -37.311
Base-Backbone interact. energy: -0.726
local terms energy: -94.164585
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -142.477160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.477160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.477160 (E_RNA)
where:
Base-Base interactions energy: -51.059
where: short stacking energy: -40.227
Base-Backbone interact. energy: -0.381
local terms energy: -91.341340
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -26.381
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.304 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -126.356981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.356981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.356981 (E_RNA)
where:
Base-Base interactions energy: -45.320
where: short stacking energy: -33.531
Base-Backbone interact. energy: 2.498
local terms energy: -83.535665
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -0.263
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: 84
Temperature: 0.900000
Total energy: -546.745408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.745408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.745408 (E_RNA)
where:
Base-Base interactions energy: -383.600
where: short stacking energy: -145.167
Base-Backbone interact. energy: 0.798
local terms energy: -163.942742
where:
bonds (distance) C4'-P energy: -32.384
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -27.844
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -543.957165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.957165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.957165 (E_RNA)
where:
Base-Base interactions energy: -385.713
where: short stacking energy: -150.212
Base-Backbone interact. energy: -0.001
local terms energy: -158.243290
where:
bonds (distance) C4'-P energy: -29.359
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -47.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -540.396224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.396224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.396224 (E_RNA)
where:
Base-Base interactions energy: -384.460
where: short stacking energy: -145.786
Base-Backbone interact. energy: -0.002
local terms energy: -155.934004
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -48.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -517.881699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.881699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.881699 (E_RNA)
where:
Base-Base interactions energy: -362.678
where: short stacking energy: -140.509
Base-Backbone interact. energy: -0.125
local terms energy: -155.078898
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -33.668
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -44.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -511.248657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.248657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.248657 (E_RNA)
where:
Base-Base interactions energy: -366.757
where: short stacking energy: -144.247
Base-Backbone interact. energy: -0.077
local terms energy: -144.414586
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -41.882
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: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -517.936313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.936313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.936313 (E_RNA)
where:
Base-Base interactions energy: -373.481
where: short stacking energy: -141.334
Base-Backbone interact. energy: -0.001
local terms energy: -144.453872
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -28.710
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -45.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -433.947213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.947213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.947213 (E_RNA)
where:
Base-Base interactions energy: -322.178
where: short stacking energy: -113.746
Base-Backbone interact. energy: 0.614
local terms energy: -112.382812
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -30.682
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: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -143.737310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.737310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.737310 (E_RNA)
where:
Base-Base interactions energy: -51.237
where: short stacking energy: -45.595
Base-Backbone interact. energy: 3.441
local terms energy: -95.941036
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -19.396
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: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -121.548081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.548081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.548081 (E_RNA)
where:
Base-Base interactions energy: -48.183
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.788
local terms energy: -72.576690
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: 6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -117.709587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.709587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.709587 (E_RNA)
where:
Base-Base interactions energy: -48.753
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.334
local terms energy: -68.622172
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: 13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -541.939724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.939724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.939724 (E_RNA)
where:
Base-Base interactions energy: -388.904
where: short stacking energy: -147.902
Base-Backbone interact. energy: -0.012
local terms energy: -153.024155
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -47.115
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: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -546.643393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.643393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.643393 (E_RNA)
where:
Base-Base interactions energy: -389.554
where: short stacking energy: -149.841
Base-Backbone interact. energy: -0.556
local terms energy: -156.533387
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -32.725
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -526.315459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.315459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.315459 (E_RNA)
where:
Base-Base interactions energy: -375.906
where: short stacking energy: -142.313
Base-Backbone interact. energy: -0.001
local terms energy: -150.434284
where:
bonds (distance) C4'-P energy: -27.159
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -25.740
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -44.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.026 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -518.060505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.060505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.060505 (E_RNA)
where:
Base-Base interactions energy: -370.525
where: short stacking energy: -144.018
Base-Backbone interact. energy: -0.000
local terms energy: -147.535297
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -42.097
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: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -511.229324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.229324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.229324 (E_RNA)
where:
Base-Base interactions energy: -370.159
where: short stacking energy: -142.663
Base-Backbone interact. energy: 0.485
local terms energy: -141.554618
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -45.285
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: 85
Temperature: 1.150000
Total energy: -458.768052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.768052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.768052 (E_RNA)
where:
Base-Base interactions energy: -330.852
where: short stacking energy: -120.482
Base-Backbone interact. energy: 1.154
local terms energy: -129.070465
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -35.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -495.986551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.986551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.986551 (E_RNA)
where:
Base-Base interactions energy: -359.692
where: short stacking energy: -139.138
Base-Backbone interact. energy: -0.011
local terms energy: -136.284041
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -42.103
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: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -143.378824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.378824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.378824 (E_RNA)
where:
Base-Base interactions energy: -58.985
where: short stacking energy: -44.411
Base-Backbone interact. energy: -0.569
local terms energy: -83.825249
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -19.771
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: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -128.815624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.815624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.815624 (E_RNA)
where:
Base-Base interactions energy: -55.918
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.258
local terms energy: -72.948994
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -8.773
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: 0.309 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -119.607569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.607569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.607569 (E_RNA)
where:
Base-Base interactions energy: -56.565
where: short stacking energy: -38.898
Base-Backbone interact. energy: -0.425
local terms energy: -62.617788
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: 1.223
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: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -546.067264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.067264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.067264 (E_RNA)
where:
Base-Base interactions energy: -393.096
where: short stacking energy: -156.758
Base-Backbone interact. energy: -0.002
local terms energy: -153.105358
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -46.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.136 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -545.795407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.795407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.795407 (E_RNA)
where:
Base-Base interactions energy: -389.981
where: short stacking energy: -155.308
Base-Backbone interact. energy: -0.000
local terms energy: -156.193185
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -49.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.379 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -536.891585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.891585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.891585 (E_RNA)
where:
Base-Base interactions energy: -379.574
where: short stacking energy: -149.325
Base-Backbone interact. energy: -0.126
local terms energy: -157.191586
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -47.035
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: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -530.065598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.065598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.065598 (E_RNA)
where:
Base-Base interactions energy: -392.922
where: short stacking energy: -151.676
Base-Backbone interact. energy: -0.001
local terms energy: -137.142588
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -44.305
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: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -454.390847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.390847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.390847 (E_RNA)
where:
Base-Base interactions energy: -324.128
where: short stacking energy: -117.900
Base-Backbone interact. energy: -1.634
local terms energy: -128.629087
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -33.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -526.797505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.797505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.797505 (E_RNA)
where:
Base-Base interactions energy: -383.845
where: short stacking energy: -145.726
Base-Backbone interact. energy: -0.082
local terms energy: -142.871015
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -30.860
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -43.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -496.904523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.904523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.904523 (E_RNA)
where:
Base-Base interactions energy: -355.598
where: short stacking energy: -144.692
Base-Backbone interact. energy: -0.004
local terms energy: -141.303304
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -144.702714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.702714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.702714 (E_RNA)
where:
Base-Base interactions energy: -67.754
where: short stacking energy: -45.289
Base-Backbone interact. energy: -0.171
local terms energy: -76.777439
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -6.894
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: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -123.222280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.222280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.222280 (E_RNA)
where:
Base-Base interactions energy: -48.984
where: short stacking energy: -28.531
Base-Backbone interact. energy: 0.313
local terms energy: -74.550731
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: 5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -113.586714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.586714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.586714 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -31.358
Base-Backbone interact. energy: 1.596
local terms energy: -77.609188
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -15.576
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: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -548.223931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.223931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.223931 (E_RNA)
where:
Base-Base interactions energy: -394.770
where: short stacking energy: -156.725
Base-Backbone interact. energy: -0.595
local terms energy: -156.088365
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -47.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.230 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -543.712446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.712446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.712446 (E_RNA)
where:
Base-Base interactions energy: -385.853
where: short stacking energy: -148.593
Base-Backbone interact. energy: -0.000
local terms energy: -157.858969
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -48.530
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: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -530.249289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.249289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.249289 (E_RNA)
where:
Base-Base interactions energy: -380.167
where: short stacking energy: -142.201
Base-Backbone interact. energy: 0.325
local terms energy: -152.897532
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -31.156
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -42.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.490 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -521.695926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.695926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.695926 (E_RNA)
where:
Base-Base interactions energy: -379.813
where: short stacking energy: -148.567
Base-Backbone interact. energy: -0.000
local terms energy: -141.882302
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -44.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -445.447214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.447214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.447214 (E_RNA)
where:
Base-Base interactions energy: -320.872
where: short stacking energy: -118.689
Base-Backbone interact. energy: -0.404
local terms energy: -124.171688
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -30.558
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: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -520.329497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.329497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.329497 (E_RNA)
where:
Base-Base interactions energy: -369.531
where: short stacking energy: -138.674
Base-Backbone interact. energy: -0.091
local terms energy: -150.708353
where:
bonds (distance) C4'-P energy: -24.917
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -48.708
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: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -501.175361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.175361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.175361 (E_RNA)
where:
Base-Base interactions energy: -368.224
where: short stacking energy: -140.338
Base-Backbone interact. energy: -0.003
local terms energy: -132.949184
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -40.095
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -127.909582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.909582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.909582 (E_RNA)
where:
Base-Base interactions energy: -50.919
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.312
local terms energy: -76.677850
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -17.194
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: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -123.915663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.915663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.915663 (E_RNA)
where:
Base-Base interactions energy: -42.426
where: short stacking energy: -32.522
Base-Backbone interact. energy: -0.195
local terms energy: -81.294130
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -16.697
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: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -128.756756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.756756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.756756 (E_RNA)
where:
Base-Base interactions energy: -51.286
where: short stacking energy: -35.195
Base-Backbone interact. energy: -0.103
local terms energy: -77.630122
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -13.262
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: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -548.679235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.679235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.679235 (E_RNA)
where:
Base-Base interactions energy: -400.800
where: short stacking energy: -155.867
Base-Backbone interact. energy: -0.352
local terms energy: -149.004338
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -47.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.477 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -535.733016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.733016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.733016 (E_RNA)
where:
Base-Base interactions energy: -391.792
where: short stacking energy: -149.775
Base-Backbone interact. energy: -0.018
local terms energy: -147.117795
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -47.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.195 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -536.056111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.056111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.056111 (E_RNA)
where:
Base-Base interactions energy: -387.949
where: short stacking energy: -147.461
Base-Backbone interact. energy: -0.008
local terms energy: -148.098533
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -44.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -516.389602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.389602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.389602 (E_RNA)
where:
Base-Base interactions energy: -369.984
where: short stacking energy: -140.489
Base-Backbone interact. energy: -0.112
local terms energy: -146.297615
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -41.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -510.333265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.333265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.333265 (E_RNA)
where:
Base-Base interactions energy: -365.578
where: short stacking energy: -129.761
Base-Backbone interact. energy: -0.571
local terms energy: -144.183649
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -43.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -457.866689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.866689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.866689 (E_RNA)
where:
Base-Base interactions energy: -336.984
where: short stacking energy: -124.178
Base-Backbone interact. energy: -0.076
local terms energy: -120.806194
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -35.461
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: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -501.658655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.658655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.658655 (E_RNA)
where:
Base-Base interactions energy: -353.780
where: short stacking energy: -141.642
Base-Backbone interact. energy: -0.155
local terms energy: -147.723365
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -44.475
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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -151.971088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.971088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.971088 (E_RNA)
where:
Base-Base interactions energy: -70.155
where: short stacking energy: -44.910
Base-Backbone interact. energy: -0.559
local terms energy: -82.869921
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -17.020
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: 1.612 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -138.389944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.389944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.389944 (E_RNA)
where:
Base-Base interactions energy: -49.279
where: short stacking energy: -42.617
Base-Backbone interact. energy: -0.725
local terms energy: -88.385509
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: 0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -123.886384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.886384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.886384 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -32.194
Base-Backbone interact. energy: -1.253
local terms energy: -84.593733
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -28.698
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -15.907
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: 0.517 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -543.275256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.275256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.275256 (E_RNA)
where:
Base-Base interactions energy: -389.368
where: short stacking energy: -148.922
Base-Backbone interact. energy: -0.788
local terms energy: -155.509542
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -49.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.391 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -534.029207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.029207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.029207 (E_RNA)
where:
Base-Base interactions energy: -378.887
where: short stacking energy: -142.675
Base-Backbone interact. energy: -0.144
local terms energy: -154.998492
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -43.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -526.042283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.042283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.042283 (E_RNA)
where:
Base-Base interactions energy: -371.772
where: short stacking energy: -144.329
Base-Backbone interact. energy: -0.002
local terms energy: -155.282558
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -29.111
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -46.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.014 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -517.159156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.159156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.159156 (E_RNA)
where:
Base-Base interactions energy: -365.840
where: short stacking energy: -139.544
Base-Backbone interact. energy: 0.451
local terms energy: -151.770133
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -43.806
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -503.527292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.527292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.527292 (E_RNA)
where:
Base-Base interactions energy: -367.568
where: short stacking energy: -139.742
Base-Backbone interact. energy: -0.012
local terms energy: -137.350426
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -43.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.403 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -495.249890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.249890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.249890 (E_RNA)
where:
Base-Base interactions energy: -369.158
where: short stacking energy: -135.601
Base-Backbone interact. energy: -0.318
local terms energy: -125.773328
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -41.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -406.942990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.942990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.942990 (E_RNA)
where:
Base-Base interactions energy: -292.349
where: short stacking energy: -105.555
Base-Backbone interact. energy: -0.124
local terms energy: -115.128398
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -26.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.658 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -123.949450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.949450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.949450 (E_RNA)
where:
Base-Base interactions energy: -46.331
where: short stacking energy: -45.573
Base-Backbone interact. energy: -0.177
local terms energy: -77.441450
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -5.867
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: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -129.590120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.590120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.590120 (E_RNA)
where:
Base-Base interactions energy: -38.425
where: short stacking energy: -22.248
Base-Backbone interact. energy: -1.320
local terms energy: -89.845109
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: 6.355
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: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -117.783541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.783541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.783541 (E_RNA)
where:
Base-Base interactions energy: -27.551
where: short stacking energy: -22.149
Base-Backbone interact. energy: 0.414
local terms energy: -90.646399
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: 2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -549.706822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.706822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.706822 (E_RNA)
where:
Base-Base interactions energy: -397.203
where: short stacking energy: -154.851
Base-Backbone interact. energy: -0.000
local terms energy: -152.503556
where:
bonds (distance) C4'-P energy: -27.377
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -30.040
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -47.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -540.013289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.013289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.013289 (E_RNA)
where:
Base-Base interactions energy: -391.340
where: short stacking energy: -152.366
Base-Backbone interact. energy: -0.007
local terms energy: -148.667137
where:
bonds (distance) C4'-P energy: -25.439
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -47.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -534.138468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.138468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.138468 (E_RNA)
where:
Base-Base interactions energy: -380.018
where: short stacking energy: -150.257
Base-Backbone interact. energy: -0.172
local terms energy: -158.152739
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -49.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.204 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -528.646152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.646152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.646152 (E_RNA)
where:
Base-Base interactions energy: -378.108
where: short stacking energy: -147.975
Base-Backbone interact. energy: -0.020
local terms energy: -150.518243
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -26.966
tors. eta vs tors. theta energy: -44.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -520.735727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.735727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.735727 (E_RNA)
where:
Base-Base interactions energy: -373.817
where: short stacking energy: -144.598
Base-Backbone interact. energy: -0.004
local terms energy: -146.914723
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -45.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -493.549873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.549873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.549873 (E_RNA)
where:
Base-Base interactions energy: -354.016
where: short stacking energy: -144.257
Base-Backbone interact. energy: -0.000
local terms energy: -139.533206
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -43.964
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: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -392.083081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.083081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.083081 (E_RNA)
where:
Base-Base interactions energy: -270.349
where: short stacking energy: -97.266
Base-Backbone interact. energy: -0.583
local terms energy: -122.739762
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -25.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.589 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -128.075966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.075966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.075966 (E_RNA)
where:
Base-Base interactions energy: -55.424
where: short stacking energy: -51.605
Base-Backbone interact. energy: 2.369
local terms energy: -75.021237
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -125.199447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.199447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.199447 (E_RNA)
where:
Base-Base interactions energy: -45.832
where: short stacking energy: -43.083
Base-Backbone interact. energy: -1.391
local terms energy: -77.976323
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -117.411638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.411638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.411638 (E_RNA)
where:
Base-Base interactions energy: -48.902
where: short stacking energy: -44.119
Base-Backbone interact. energy: -1.095
local terms energy: -68.171654
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.757 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -551.322095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.322095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.322095 (E_RNA)
where:
Base-Base interactions energy: -392.999
where: short stacking energy: -152.433
Base-Backbone interact. energy: -0.587
local terms energy: -157.736149
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -45.140
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: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -529.679750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.679750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.679750 (E_RNA)
where:
Base-Base interactions energy: -382.997
where: short stacking energy: -144.930
Base-Backbone interact. energy: -0.001
local terms energy: -146.682182
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -45.504
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: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -532.216679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.216679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.216679 (E_RNA)
where:
Base-Base interactions energy: -385.163
where: short stacking energy: -152.483
Base-Backbone interact. energy: -0.002
local terms energy: -147.052399
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -47.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -530.652988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.652988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.652988 (E_RNA)
where:
Base-Base interactions energy: -380.012
where: short stacking energy: -142.808
Base-Backbone interact. energy: -0.001
local terms energy: -150.639606
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -31.153
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -44.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -509.300612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.300612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.300612 (E_RNA)
where:
Base-Base interactions energy: -361.569
where: short stacking energy: -143.580
Base-Backbone interact. energy: -0.004
local terms energy: -147.726642
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -42.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -525.334838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.334838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.334838 (E_RNA)
where:
Base-Base interactions energy: -376.218
where: short stacking energy: -143.690
Base-Backbone interact. energy: -0.011
local terms energy: -149.982517
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: -46.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.877 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -390.867107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.867107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.867107 (E_RNA)
where:
Base-Base interactions energy: -273.984
where: short stacking energy: -98.853
Base-Backbone interact. energy: -0.704
local terms energy: -116.601767
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -129.553789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.553789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.553789 (E_RNA)
where:
Base-Base interactions energy: -40.999
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.406
local terms energy: -88.148756
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -134.215908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.215908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.215908 (E_RNA)
where:
Base-Base interactions energy: -52.915
where: short stacking energy: -39.090
Base-Backbone interact. energy: -0.319
local terms energy: -80.982294
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -13.896
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: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -119.679443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.679443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.679443 (E_RNA)
where:
Base-Base interactions energy: -45.565
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.711
local terms energy: -73.403652
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -4.572
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: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -526.529375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.529375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.529375 (E_RNA)
where:
Base-Base interactions energy: -375.386
where: short stacking energy: -145.394
Base-Backbone interact. energy: -0.015
local terms energy: -151.128870
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -43.343
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: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -547.727300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.727300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.727300 (E_RNA)
where:
Base-Base interactions energy: -388.403
where: short stacking energy: -150.545
Base-Backbone interact. energy: -0.001
local terms energy: -159.322962
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -27.709
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -50.127
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: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -536.894518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.894518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.894518 (E_RNA)
where:
Base-Base interactions energy: -386.262
where: short stacking energy: -147.281
Base-Backbone interact. energy: -0.001
local terms energy: -150.632168
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -46.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -526.238349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.238349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.238349 (E_RNA)
where:
Base-Base interactions energy: -381.409
where: short stacking energy: -146.657
Base-Backbone interact. energy: -0.187
local terms energy: -144.642195
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -30.153
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -41.934
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: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -512.792091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.792091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.792091 (E_RNA)
where:
Base-Base interactions energy: -374.938
where: short stacking energy: -146.159
Base-Backbone interact. energy: 0.020
local terms energy: -137.873460
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -43.204
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: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -504.348632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.348632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.348632 (E_RNA)
where:
Base-Base interactions energy: -371.972
where: short stacking energy: -140.360
Base-Backbone interact. energy: -0.029
local terms energy: -132.347250
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -44.424
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -400.755383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.755383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.755383 (E_RNA)
where:
Base-Base interactions energy: -285.398
where: short stacking energy: -103.188
Base-Backbone interact. energy: -0.342
local terms energy: -115.014835
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -29.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -159.743597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.743597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.743597 (E_RNA)
where:
Base-Base interactions energy: -49.626
where: short stacking energy: -43.400
Base-Backbone interact. energy: 0.620
local terms energy: -110.750114
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.013 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -125.626406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.626406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.626406 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -31.910
Base-Backbone interact. energy: 0.928
local terms energy: -79.891977
where:
bonds (distance) C4'-P energy: -29.160
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -11.259
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: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -150.352359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.352359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.352359 (E_RNA)
where:
Base-Base interactions energy: -69.276
where: short stacking energy: -43.078
Base-Backbone interact. energy: -1.938
local terms energy: -79.138687
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -12.394
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: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -535.025704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.025704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.025704 (E_RNA)
where:
Base-Base interactions energy: -385.412
where: short stacking energy: -149.834
Base-Backbone interact. energy: -0.006
local terms energy: -149.607284
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -47.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -543.345590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.345590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.345590 (E_RNA)
where:
Base-Base interactions energy: -386.283
where: short stacking energy: -151.052
Base-Backbone interact. energy: -0.585
local terms energy: -156.477838
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -47.510
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: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -532.423308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.423308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.423308 (E_RNA)
where:
Base-Base interactions energy: -382.172
where: short stacking energy: -150.085
Base-Backbone interact. energy: -0.004
local terms energy: -150.246892
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -21.203
tors. eta vs tors. theta energy: -45.211
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: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -535.408378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.408378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.408378 (E_RNA)
where:
Base-Base interactions energy: -385.296
where: short stacking energy: -151.996
Base-Backbone interact. energy: -0.002
local terms energy: -150.110941
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -47.054
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: 93
Temperature: 1.100000
Total energy: -522.862124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.862124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.862124 (E_RNA)
where:
Base-Base interactions energy: -372.304
where: short stacking energy: -139.765
Base-Backbone interact. energy: -0.001
local terms energy: -150.557895
where:
bonds (distance) C4'-P energy: -29.959
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -42.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -493.828774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.828774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.828774 (E_RNA)
where:
Base-Base interactions energy: -354.528
where: short stacking energy: -137.397
Base-Backbone interact. energy: -0.001
local terms energy: -139.299957
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: -40.708
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: 93
Temperature: 1.200000
Total energy: -400.595549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.595549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.595549 (E_RNA)
where:
Base-Base interactions energy: -286.856
where: short stacking energy: -108.879
Base-Backbone interact. energy: 0.820
local terms energy: -114.559300
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -24.295
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -131.810496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.810496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.810496 (E_RNA)
where:
Base-Base interactions energy: -51.392
where: short stacking energy: -39.406
Base-Backbone interact. energy: 0.002
local terms energy: -80.420205
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -128.462028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.462028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.462028 (E_RNA)
where:
Base-Base interactions energy: -45.956
where: short stacking energy: -45.872
Base-Backbone interact. energy: -0.024
local terms energy: -82.482084
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -123.307020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.307020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.307020 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -22.721
Base-Backbone interact. energy: -1.170
local terms energy: -83.835051
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -5.546
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: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -543.548490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.548490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.548490 (E_RNA)
where:
Base-Base interactions energy: -386.909
where: short stacking energy: -152.867
Base-Backbone interact. energy: -0.005
local terms energy: -156.633849
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -48.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -542.340697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.340697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.340697 (E_RNA)
where:
Base-Base interactions energy: -377.858
where: short stacking energy: -143.656
Base-Backbone interact. energy: -0.001
local terms energy: -164.481100
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -27.839
tors. eta vs tors. theta energy: -46.808
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: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -531.742252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.742252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.742252 (E_RNA)
where:
Base-Base interactions energy: -386.848
where: short stacking energy: -150.102
Base-Backbone interact. energy: -0.157
local terms energy: -146.421584
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -45.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.685 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -526.821163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.821163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.821163 (E_RNA)
where:
Base-Base interactions energy: -369.806
where: short stacking energy: -138.362
Base-Backbone interact. energy: -0.215
local terms energy: -157.122936
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -27.534
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -47.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.323 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -518.629034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.629034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.629034 (E_RNA)
where:
Base-Base interactions energy: -379.702
where: short stacking energy: -142.267
Base-Backbone interact. energy: -0.002
local terms energy: -138.925690
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -31.223
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -45.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -509.203889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.203889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.203889 (E_RNA)
where:
Base-Base interactions energy: -367.000
where: short stacking energy: -139.026
Base-Backbone interact. energy: -0.003
local terms energy: -142.201824
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -44.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -411.959172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.959172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.959172 (E_RNA)
where:
Base-Base interactions energy: -291.701
where: short stacking energy: -116.250
Base-Backbone interact. energy: -0.543
local terms energy: -119.715706
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -32.614
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: 94
Temperature: 1.250000
Total energy: -175.879063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.879063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.879063 (E_RNA)
where:
Base-Base interactions energy: -90.461
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.282
local terms energy: -85.176684
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.041 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -143.595188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.595188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.595188 (E_RNA)
where:
Base-Base interactions energy: -51.606
where: short stacking energy: -47.440
Base-Backbone interact. energy: 1.267
local terms energy: -93.256003
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -120.267846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.267846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.267846 (E_RNA)
where:
Base-Base interactions energy: -31.684
where: short stacking energy: -28.799
Base-Backbone interact. energy: -1.705
local terms energy: -86.879077
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -541.137382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.137382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.137382 (E_RNA)
where:
Base-Base interactions energy: -394.351
where: short stacking energy: -151.657
Base-Backbone interact. energy: -0.004
local terms energy: -152.448231
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -45.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.666 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -543.065379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.065379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.065379 (E_RNA)
where:
Base-Base interactions energy: -391.824
where: short stacking energy: -152.583
Base-Backbone interact. energy: -0.242
local terms energy: -150.999545
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -26.884
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -48.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -535.826350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.826350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.826350 (E_RNA)
where:
Base-Base interactions energy: -393.818
where: short stacking energy: -149.895
Base-Backbone interact. energy: -0.004
local terms energy: -142.004384
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -47.660
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -516.586983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.586983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.586983 (E_RNA)
where:
Base-Base interactions energy: -369.855
where: short stacking energy: -143.332
Base-Backbone interact. energy: -0.001
local terms energy: -146.731412
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -43.673
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: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -523.507466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.507466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.507466 (E_RNA)
where:
Base-Base interactions energy: -375.460
where: short stacking energy: -143.886
Base-Backbone interact. energy: -0.266
local terms energy: -148.515779
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: -46.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.734 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -515.962584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.962584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.962584 (E_RNA)
where:
Base-Base interactions energy: -373.600
where: short stacking energy: -143.563
Base-Backbone interact. energy: -0.041
local terms energy: -142.321274
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -44.852
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: 95
Temperature: 1.200000
Total energy: -384.948718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.948718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.948718 (E_RNA)
where:
Base-Base interactions energy: -258.350
where: short stacking energy: -99.676
Base-Backbone interact. energy: 0.804
local terms energy: -127.402981
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -26.222
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: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -141.699594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.699594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.699594 (E_RNA)
where:
Base-Base interactions energy: -53.190
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.479
local terms energy: -88.029917
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.052
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -153.532350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.532350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.532350 (E_RNA)
where:
Base-Base interactions energy: -67.252
where: short stacking energy: -39.703
Base-Backbone interact. energy: -0.970
local terms energy: -85.310115
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -16.696
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: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -135.495182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.495182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.495182 (E_RNA)
where:
Base-Base interactions energy: -53.936
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.808
local terms energy: -82.221718
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.471 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -550.564680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.564680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.564680 (E_RNA)
where:
Base-Base interactions energy: -393.432
where: short stacking energy: -155.162
Base-Backbone interact. energy: -0.000
local terms energy: -157.132566
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -48.537
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: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -530.367963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.367963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.367963 (E_RNA)
where:
Base-Base interactions energy: -380.287
where: short stacking energy: -139.456
Base-Backbone interact. energy: -0.161
local terms energy: -150.423848
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -31.766
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -45.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.504 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -530.084839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.084839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.084839 (E_RNA)
where:
Base-Base interactions energy: -389.219
where: short stacking energy: -147.912
Base-Backbone interact. energy: -0.012
local terms energy: -140.853374
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -25.926
flat angles C4'-P-C4' energy: -29.773
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -43.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -524.408410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.408410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.408410 (E_RNA)
where:
Base-Base interactions energy: -382.458
where: short stacking energy: -149.588
Base-Backbone interact. energy: -0.001
local terms energy: -141.949832
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -44.213
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: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -510.812984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.812984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.812984 (E_RNA)
where:
Base-Base interactions energy: -360.629
where: short stacking energy: -135.053
Base-Backbone interact. energy: -0.013
local terms energy: -150.365616
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -43.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.195 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -502.676372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.676372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.676372 (E_RNA)
where:
Base-Base interactions energy: -368.322
where: short stacking energy: -144.419
Base-Backbone interact. energy: -0.011
local terms energy: -134.343839
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -44.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -414.513582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.513582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.513582 (E_RNA)
where:
Base-Base interactions energy: -295.477
where: short stacking energy: -111.117
Base-Backbone interact. energy: -0.065
local terms energy: -118.971523
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -28.060
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -145.752948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.752948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.752948 (E_RNA)
where:
Base-Base interactions energy: -56.255
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.548
local terms energy: -88.949742
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -17.086
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: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -123.634958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.634958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.634958 (E_RNA)
where:
Base-Base interactions energy: -36.077
where: short stacking energy: -24.667
Base-Backbone interact. energy: -0.911
local terms energy: -86.647411
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -15.697
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: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -149.274093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.274093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.274093 (E_RNA)
where:
Base-Base interactions energy: -73.511
where: short stacking energy: -48.718
Base-Backbone interact. energy: -0.120
local terms energy: -75.643614
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: 0.285
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: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -546.490279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.490279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.490279 (E_RNA)
where:
Base-Base interactions energy: -388.901
where: short stacking energy: -151.947
Base-Backbone interact. energy: -0.013
local terms energy: -157.576790
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -28.023
flat angles C4'-P-C4' energy: -31.757
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -48.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -540.185699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.185699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.185699 (E_RNA)
where:
Base-Base interactions energy: -382.983
where: short stacking energy: -148.426
Base-Backbone interact. energy: -0.731
local terms energy: -156.954656
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -47.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.483 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -531.005539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.005539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.005539 (E_RNA)
where:
Base-Base interactions energy: -385.396
where: short stacking energy: -141.580
Base-Backbone interact. energy: -0.009
local terms energy: -145.600184
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -32.443
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -44.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -529.840437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.840437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.840437 (E_RNA)
where:
Base-Base interactions energy: -384.080
where: short stacking energy: -145.389
Base-Backbone interact. energy: -0.000
local terms energy: -145.760258
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -46.513
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: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -514.976851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.976851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.976851 (E_RNA)
where:
Base-Base interactions energy: -376.114
where: short stacking energy: -143.943
Base-Backbone interact. energy: -0.003
local terms energy: -138.859821
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -46.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -502.698939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.698939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.698939 (E_RNA)
where:
Base-Base interactions energy: -356.395
where: short stacking energy: -136.545
Base-Backbone interact. energy: -0.006
local terms energy: -146.298322
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -43.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -402.829218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.829218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.829218 (E_RNA)
where:
Base-Base interactions energy: -279.786
where: short stacking energy: -108.265
Base-Backbone interact. energy: -1.212
local terms energy: -121.830743
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -32.961
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: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -158.912713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.912713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.912713 (E_RNA)
where:
Base-Base interactions energy: -65.876
where: short stacking energy: -38.487
Base-Backbone interact. energy: -0.312
local terms energy: -92.827263
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -143.082039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.082039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.082039 (E_RNA)
where:
Base-Base interactions energy: -46.369
where: short stacking energy: -37.720
Base-Backbone interact. energy: -0.286
local terms energy: -97.041602
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.615 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -118.288134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.288134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.288134 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -36.664
Base-Backbone interact. energy: -1.175
local terms energy: -72.461348
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -9.540
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: 98
Temperature: 0.900000
Total energy: -548.851098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.851098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.851098 (E_RNA)
where:
Base-Base interactions energy: -392.144
where: short stacking energy: -153.044
Base-Backbone interact. energy: -0.003
local terms energy: -156.703519
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -46.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -536.195172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.195172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.195172 (E_RNA)
where:
Base-Base interactions energy: -382.146
where: short stacking energy: -146.097
Base-Backbone interact. energy: -0.870
local terms energy: -153.806182
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -45.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.627 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -533.587001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.587001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.587001 (E_RNA)
where:
Base-Base interactions energy: -385.388
where: short stacking energy: -150.222
Base-Backbone interact. energy: -0.000
local terms energy: -148.198552
where:
bonds (distance) C4'-P energy: -27.004
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -47.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -514.322542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.322542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.322542 (E_RNA)
where:
Base-Base interactions energy: -376.625
where: short stacking energy: -141.459
Base-Backbone interact. energy: -0.273
local terms energy: -139.151387
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -45.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.726 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -512.019656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.019656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.019656 (E_RNA)
where:
Base-Base interactions energy: -372.813
where: short stacking energy: -138.397
Base-Backbone interact. energy: -0.585
local terms energy: -138.621225
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -45.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -509.549457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.549457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.549457 (E_RNA)
where:
Base-Base interactions energy: -371.978
where: short stacking energy: -139.133
Base-Backbone interact. energy: -0.033
local terms energy: -139.291187
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -49.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.753 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -411.233301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.233301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.233301 (E_RNA)
where:
Base-Base interactions energy: -290.853
where: short stacking energy: -104.511
Base-Backbone interact. energy: -0.976
local terms energy: -119.404242
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -26.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -144.552122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.552122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.552122 (E_RNA)
where:
Base-Base interactions energy: -62.797
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.239
local terms energy: -81.516346
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -125.736802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.736802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.736802 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.258
local terms energy: -82.846509
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -26.849
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: 6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -127.238138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.238138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.238138 (E_RNA)
where:
Base-Base interactions energy: -64.568
where: short stacking energy: -45.448
Base-Backbone interact. energy: 12.494
local terms energy: -75.164070
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -10.626
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: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -552.832890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.832890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.832890 (E_RNA)
where:
Base-Base interactions energy: -398.300
where: short stacking energy: -161.135
Base-Backbone interact. energy: -0.280
local terms energy: -154.253694
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -47.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -548.719279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.719279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.719279 (E_RNA)
where:
Base-Base interactions energy: -397.337
where: short stacking energy: -154.363
Base-Backbone interact. energy: -0.002
local terms energy: -151.380801
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -48.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -527.237352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.237352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.237352 (E_RNA)
where:
Base-Base interactions energy: -384.338
where: short stacking energy: -147.654
Base-Backbone interact. energy: -0.002
local terms energy: -142.897090
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -45.526
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -510.300830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.300830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.300830 (E_RNA)
where:
Base-Base interactions energy: -362.442
where: short stacking energy: -143.666
Base-Backbone interact. energy: -0.012
local terms energy: -147.846445
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -28.490
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -42.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -509.843480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.843480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.843480 (E_RNA)
where:
Base-Base interactions energy: -369.576
where: short stacking energy: -137.643
Base-Backbone interact. energy: 0.506
local terms energy: -140.773528
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -45.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -386.942307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.942307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.942307 (E_RNA)
where:
Base-Base interactions energy: -268.670
where: short stacking energy: -103.680
Base-Backbone interact. energy: 0.739
local terms energy: -119.011531
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -509.598164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.598164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.598164 (E_RNA)
where:
Base-Base interactions energy: -372.314
where: short stacking energy: -149.452
Base-Backbone interact. energy: -0.016
local terms energy: -138.748879
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -44.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.480 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -134.962651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.962651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.962651 (E_RNA)
where:
Base-Base interactions energy: -43.833
where: short stacking energy: -41.542
Base-Backbone interact. energy: -0.978
local terms energy: -90.151401
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -144.284229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.284229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.284229 (E_RNA)
where:
Base-Base interactions energy: -70.681
where: short stacking energy: -36.646
Base-Backbone interact. energy: -1.307
local terms energy: -72.295975
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -7.876
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: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -119.626178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.626178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.626178 (E_RNA)
where:
Base-Base interactions energy: -42.729
where: short stacking energy: -20.452
Base-Backbone interact. energy: -0.849
local terms energy: -77.061714
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -5.363
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: 1.013 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -551.784494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.784494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.784494 (E_RNA)
where:
Base-Base interactions energy: -398.664
where: short stacking energy: -155.086
Base-Backbone interact. energy: -0.002
local terms energy: -153.118463
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -47.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -548.315135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.315135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.315135 (E_RNA)
where:
Base-Base interactions energy: -387.083
where: short stacking energy: -143.996
Base-Backbone interact. energy: -0.000
local terms energy: -161.911934
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -24.524
tors. eta vs tors. theta energy: -48.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.680 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -524.636485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.636485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.636485 (E_RNA)
where:
Base-Base interactions energy: -385.984
where: short stacking energy: -147.729
Base-Backbone interact. energy: -0.001
local terms energy: -138.652272
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -512.183702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.183702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.183702 (E_RNA)
where:
Base-Base interactions energy: -369.480
where: short stacking energy: -142.177
Base-Backbone interact. energy: -0.009
local terms energy: -142.693811
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -46.259
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: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -508.069628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.069628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.069628 (E_RNA)
where:
Base-Base interactions energy: -366.850
where: short stacking energy: -135.146
Base-Backbone interact. energy: -0.009
local terms energy: -143.095679
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -42.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.885 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -398.539914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.539914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.539914 (E_RNA)
where:
Base-Base interactions energy: -280.079
where: short stacking energy: -114.719
Base-Backbone interact. energy: -0.371
local terms energy: -118.090237
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -28.151
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -28.777
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: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -501.820438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.820438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.820438 (E_RNA)
where:
Base-Base interactions energy: -361.024
where: short stacking energy: -135.263
Base-Backbone interact. energy: -0.000
local terms energy: -140.875490
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -45.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -149.039921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.039921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.039921 (E_RNA)
where:
Base-Base interactions energy: -74.958
where: short stacking energy: -50.152
Base-Backbone interact. energy: -1.542
local terms energy: -73.653391
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -8.403
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: 1.114 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -146.513493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.513493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.513493 (E_RNA)
where:
Base-Base interactions energy: -70.579
where: short stacking energy: -42.864
Base-Backbone interact. energy: -0.594
local terms energy: -75.339672
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -15.722
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: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -137.271166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.271166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.271166 (E_RNA)
where:
Base-Base interactions energy: -55.978
where: short stacking energy: -34.813
Base-Backbone interact. energy: 0.581
local terms energy: -81.874097
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -1.242
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -548.867999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.867999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.867999 (E_RNA)
where:
Base-Base interactions energy: -387.838
where: short stacking energy: -155.539
Base-Backbone interact. energy: -0.003
local terms energy: -161.026946
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: -49.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -546.598115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.598115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.598115 (E_RNA)
where:
Base-Base interactions energy: -391.615
where: short stacking energy: -153.372
Base-Backbone interact. energy: -0.006
local terms energy: -154.977170
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -48.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -519.815069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.815069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.815069 (E_RNA)
where:
Base-Base interactions energy: -377.460
where: short stacking energy: -142.539
Base-Backbone interact. energy: -0.016
local terms energy: -142.338906
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -24.992
tors. eta vs tors. theta energy: -42.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -522.607448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.607448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.607448 (E_RNA)
where:
Base-Base interactions energy: -375.326
where: short stacking energy: -143.863
Base-Backbone interact. energy: -0.002
local terms energy: -147.279430
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -49.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -512.049909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.049909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.049909 (E_RNA)
where:
Base-Base interactions energy: -370.937
where: short stacking energy: -139.384
Base-Backbone interact. energy: -0.577
local terms energy: -140.535725
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -44.704
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: 101
Temperature: 1.150000
Total energy: -502.438386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.438386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.438386 (E_RNA)
where:
Base-Base interactions energy: -359.837
where: short stacking energy: -134.787
Base-Backbone interact. energy: 0.318
local terms energy: -142.919089
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -45.938
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: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -391.299121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.299121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.299121 (E_RNA)
where:
Base-Base interactions energy: -272.693
where: short stacking energy: -99.388
Base-Backbone interact. energy: -0.954
local terms energy: -117.652048
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -30.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -156.622346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.622346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.622346 (E_RNA)
where:
Base-Base interactions energy: -64.772
where: short stacking energy: -47.168
Base-Backbone interact. energy: -0.442
local terms energy: -91.408706
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -165.648249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.648249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.648249 (E_RNA)
where:
Base-Base interactions energy: -83.286
where: short stacking energy: -49.539
Base-Backbone interact. energy: -0.400
local terms energy: -81.962277
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -6.781
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: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -125.671259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.671259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.671259 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -21.952
Base-Backbone interact. energy: -3.103
local terms energy: -89.522809
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.601 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -553.754708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.754708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.754708 (E_RNA)
where:
Base-Base interactions energy: -389.420
where: short stacking energy: -149.218
Base-Backbone interact. energy: -0.000
local terms energy: -164.334634
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -50.695
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: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -542.020167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.020167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.020167 (E_RNA)
where:
Base-Base interactions energy: -382.868
where: short stacking energy: -143.194
Base-Backbone interact. energy: -0.414
local terms energy: -158.738569
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -46.966
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: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -535.038120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.038120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.038120 (E_RNA)
where:
Base-Base interactions energy: -377.120
where: short stacking energy: -153.251
Base-Backbone interact. energy: -0.056
local terms energy: -157.861737
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -24.647
tors. eta vs tors. theta energy: -47.478
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: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -542.224669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.224669 (E_RNA)
where:
Base-Base interactions energy: -396.213
where: short stacking energy: -147.033
Base-Backbone interact. energy: -0.034
local terms energy: -145.977547
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -46.123
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -527.980504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.980504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.980504 (E_RNA)
where:
Base-Base interactions energy: -382.636
where: short stacking energy: -148.180
Base-Backbone interact. energy: -0.721
local terms energy: -145.225681
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -43.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.602 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -522.194278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.194278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.194278 (E_RNA)
where:
Base-Base interactions energy: -374.997
where: short stacking energy: -146.093
Base-Backbone interact. energy: -0.011
local terms energy: -147.186964
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -45.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -411.928671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.928671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.928671 (E_RNA)
where:
Base-Base interactions energy: -290.684
where: short stacking energy: -111.902
Base-Backbone interact. energy: -0.400
local terms energy: -120.844102
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -26.091
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: 102
Temperature: 1.250000
Total energy: -130.456512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.456512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.456512 (E_RNA)
where:
Base-Base interactions energy: -45.849
where: short stacking energy: -37.316
Base-Backbone interact. energy: 0.259
local terms energy: -84.866640
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: 3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -166.564980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.564980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.564980 (E_RNA)
where:
Base-Base interactions energy: -80.209
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.387
local terms energy: -85.968728
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -7.297
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: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -128.020801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.020801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.020801 (E_RNA)
where:
Base-Base interactions energy: -40.884
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.698
local terms energy: -87.584767
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -31.110
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -8.206
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: 1.146 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -546.605358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.605358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.605358 (E_RNA)
where:
Base-Base interactions energy: -384.681
where: short stacking energy: -151.847
Base-Backbone interact. energy: -0.043
local terms energy: -161.881713
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -50.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -541.116588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.116588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.116588 (E_RNA)
where:
Base-Base interactions energy: -390.951
where: short stacking energy: -155.090
Base-Backbone interact. energy: -0.213
local terms energy: -149.952796
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -47.687
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: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -525.166334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.166334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.166334 (E_RNA)
where:
Base-Base interactions energy: -376.459
where: short stacking energy: -141.334
Base-Backbone interact. energy: -0.003
local terms energy: -148.704050
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -43.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -519.867512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.867512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.867512 (E_RNA)
where:
Base-Base interactions energy: -367.164
where: short stacking energy: -147.277
Base-Backbone interact. energy: -0.000
local terms energy: -152.703680
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -45.214
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -509.084486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.084486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.084486 (E_RNA)
where:
Base-Base interactions energy: -369.954
where: short stacking energy: -142.880
Base-Backbone interact. energy: -0.001
local terms energy: -139.129314
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -45.000
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: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -512.694958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.694958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.694958 (E_RNA)
where:
Base-Base interactions energy: -361.997
where: short stacking energy: -136.880
Base-Backbone interact. energy: -0.244
local terms energy: -150.453614
where:
bonds (distance) C4'-P energy: -28.885
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -44.197
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -384.885161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.885161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.885161 (E_RNA)
where:
Base-Base interactions energy: -268.844
where: short stacking energy: -105.937
Base-Backbone interact. energy: 3.186
local terms energy: -119.227042
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -24.323
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: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -135.207363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.207363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.207363 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -35.306
Base-Backbone interact. energy: -0.756
local terms energy: -93.679970
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -15.258
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -112.296875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.296875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.296875 (E_RNA)
where:
Base-Base interactions energy: -35.326
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.319
local terms energy: -76.651159
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: 8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -125.566666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.566666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.566666 (E_RNA)
where:
Base-Base interactions energy: -47.972
where: short stacking energy: -38.767
Base-Backbone interact. energy: 1.877
local terms energy: -79.471266
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: 2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -545.622936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.622936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.622936 (E_RNA)
where:
Base-Base interactions energy: -392.905
where: short stacking energy: -151.831
Base-Backbone interact. energy: -0.335
local terms energy: -152.383321
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -45.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -542.388303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.388303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.388303 (E_RNA)
where:
Base-Base interactions energy: -388.326
where: short stacking energy: -145.478
Base-Backbone interact. energy: -0.003
local terms energy: -154.058965
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -44.127
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: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -533.028126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.028126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.028126 (E_RNA)
where:
Base-Base interactions energy: -378.772
where: short stacking energy: -152.162
Base-Backbone interact. energy: -0.075
local terms energy: -154.181185
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -44.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -508.218624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.218624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.218624 (E_RNA)
where:
Base-Base interactions energy: -360.614
where: short stacking energy: -141.491
Base-Backbone interact. energy: -0.737
local terms energy: -146.867498
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -43.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -521.564229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.564229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.564229 (E_RNA)
where:
Base-Base interactions energy: -375.334
where: short stacking energy: -144.849
Base-Backbone interact. energy: 1.551
local terms energy: -148.374157
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -44.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.593 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -503.396478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.396478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.396478 (E_RNA)
where:
Base-Base interactions energy: -371.274
where: short stacking energy: -143.693
Base-Backbone interact. energy: -0.049
local terms energy: -132.073138
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -42.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -372.351057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.351057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.351057 (E_RNA)
where:
Base-Base interactions energy: -250.523
where: short stacking energy: -98.891
Base-Backbone interact. energy: 0.744
local terms energy: -122.571913
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -34.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -139.890551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.890551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.890551 (E_RNA)
where:
Base-Base interactions energy: -54.560
where: short stacking energy: -43.934
Base-Backbone interact. energy: 0.547
local terms energy: -85.877569
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -11.279
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: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -124.945902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.945902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.945902 (E_RNA)
where:
Base-Base interactions energy: -40.163
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.416
local terms energy: -85.146630
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -25.735
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.779 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -137.653023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.653023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.653023 (E_RNA)
where:
Base-Base interactions energy: -63.953
where: short stacking energy: -29.707
Base-Backbone interact. energy: -1.004
local terms energy: -72.985898
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -6.866
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: 0.291 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -548.860480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.860480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.860480 (E_RNA)
where:
Base-Base interactions energy: -392.085
where: short stacking energy: -151.921
Base-Backbone interact. energy: -0.009
local terms energy: -156.766083
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -46.558
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: 105
Temperature: 0.950000
Total energy: -543.006103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.006103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.006103 (E_RNA)
where:
Base-Base interactions energy: -390.987
where: short stacking energy: -150.285
Base-Backbone interact. energy: -0.588
local terms energy: -151.431316
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: -44.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -529.893981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.893981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.893981 (E_RNA)
where:
Base-Base interactions energy: -382.148
where: short stacking energy: -153.002
Base-Backbone interact. energy: -0.006
local terms energy: -147.739926
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -46.283
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -517.785974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.785974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.785974 (E_RNA)
where:
Base-Base interactions energy: -372.019
where: short stacking energy: -138.587
Base-Backbone interact. energy: -0.001
local terms energy: -145.766248
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -45.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -503.671856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.671856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.671856 (E_RNA)
where:
Base-Base interactions energy: -365.590
where: short stacking energy: -142.830
Base-Backbone interact. energy: -0.006
local terms energy: -138.075268
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -508.010780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.010780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.010780 (E_RNA)
where:
Base-Base interactions energy: -363.992
where: short stacking energy: -137.232
Base-Backbone interact. energy: -0.061
local terms energy: -143.958489
where:
bonds (distance) C4'-P energy: -28.070
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -43.428
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: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -346.362346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.362346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.362346 (E_RNA)
where:
Base-Base interactions energy: -236.842
where: short stacking energy: -85.675
Base-Backbone interact. energy: -0.449
local terms energy: -109.071661
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -22.896
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: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -139.437458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.437458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.437458 (E_RNA)
where:
Base-Base interactions energy: -52.879
where: short stacking energy: -37.875
Base-Backbone interact. energy: -0.626
local terms energy: -85.933311
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -18.740
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: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -129.616752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.616752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.616752 (E_RNA)
where:
Base-Base interactions energy: -45.593
where: short stacking energy: -35.095
Base-Backbone interact. energy: -0.315
local terms energy: -83.707971
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -15.177
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: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -111.316310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.316310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.316310 (E_RNA)
where:
Base-Base interactions energy: -46.734
where: short stacking energy: -38.737
Base-Backbone interact. energy: -1.542
local terms energy: -63.039717
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: 4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -549.649446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.649446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.649446 (E_RNA)
where:
Base-Base interactions energy: -383.605
where: short stacking energy: -148.240
Base-Backbone interact. energy: -0.000
local terms energy: -166.044160
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -48.602
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: 106
Temperature: 0.950000
Total energy: -541.838744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.838744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.838744 (E_RNA)
where:
Base-Base interactions energy: -389.836
where: short stacking energy: -147.007
Base-Backbone interact. energy: -0.002
local terms energy: -152.000417
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -26.581
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -46.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -536.124478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.124478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.124478 (E_RNA)
where:
Base-Base interactions energy: -378.728
where: short stacking energy: -143.794
Base-Backbone interact. energy: -0.724
local terms energy: -156.672122
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -45.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -527.393256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.393256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.393256 (E_RNA)
where:
Base-Base interactions energy: -379.406
where: short stacking energy: -148.149
Base-Backbone interact. energy: -0.043
local terms energy: -147.944750
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -48.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -516.373665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.373665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.373665 (E_RNA)
where:
Base-Base interactions energy: -372.238
where: short stacking energy: -148.747
Base-Backbone interact. energy: -0.009
local terms energy: -144.716575
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -48.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.589 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -498.996474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.996474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.996474 (E_RNA)
where:
Base-Base interactions energy: -350.635
where: short stacking energy: -132.730
Base-Backbone interact. energy: -0.231
local terms energy: -148.131311
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -42.194
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: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -353.498202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.498202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.498202 (E_RNA)
where:
Base-Base interactions energy: -224.067
where: short stacking energy: -82.326
Base-Backbone interact. energy: -1.639
local terms energy: -127.792637
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -147.827249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.827249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.827249 (E_RNA)
where:
Base-Base interactions energy: -54.397
where: short stacking energy: -52.252
Base-Backbone interact. energy: -0.507
local terms energy: -92.923096
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -125.298855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.298855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.298855 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -25.927
Base-Backbone interact. energy: -2.145
local terms energy: -83.873738
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -18.123
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: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -117.632223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.632223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.632223 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -39.621
Base-Backbone interact. energy: 0.142
local terms energy: -75.870476
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.928 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -553.624280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.624280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.624280 (E_RNA)
where:
Base-Base interactions energy: -392.798
where: short stacking energy: -152.303
Base-Backbone interact. energy: -0.314
local terms energy: -160.511743
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -47.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -544.636808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.636808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.636808 (E_RNA)
where:
Base-Base interactions energy: -384.282
where: short stacking energy: -154.790
Base-Backbone interact. energy: -0.003
local terms energy: -160.634768
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -31.493
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -49.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.284 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -530.290183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.290183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.290183 (E_RNA)
where:
Base-Base interactions energy: -383.029
where: short stacking energy: -144.441
Base-Backbone interact. energy: -0.001
local terms energy: -147.343761
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -45.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.084 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -522.410117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.410117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.410117 (E_RNA)
where:
Base-Base interactions energy: -374.805
where: short stacking energy: -149.434
Base-Backbone interact. energy: -0.053
local terms energy: -147.551890
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -43.129
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: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -520.504327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.504327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.504327 (E_RNA)
where:
Base-Base interactions energy: -381.831
where: short stacking energy: -154.402
Base-Backbone interact. energy: -0.002
local terms energy: -139.610884
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -48.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.939 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -505.081830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.081830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.081830 (E_RNA)
where:
Base-Base interactions energy: -365.324
where: short stacking energy: -136.829
Base-Backbone interact. energy: -0.034
local terms energy: -139.723853
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -42.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -368.973694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.973694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.973694 (E_RNA)
where:
Base-Base interactions energy: -252.825
where: short stacking energy: -93.711
Base-Backbone interact. energy: -0.924
local terms energy: -115.224493
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -158.266271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.266271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.266271 (E_RNA)
where:
Base-Base interactions energy: -54.457
where: short stacking energy: -48.346
Base-Backbone interact. energy: -1.887
local terms energy: -101.922829
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -17.499
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: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -129.932533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.932533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.932533 (E_RNA)
where:
Base-Base interactions energy: -60.474
where: short stacking energy: -30.240
Base-Backbone interact. energy: 0.619
local terms energy: -70.078133
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: 0.206
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: 107
Temperature: 1.350000
Total energy: -119.980661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.980661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.980661 (E_RNA)
where:
Base-Base interactions energy: -46.207
where: short stacking energy: -35.891
Base-Backbone interact. energy: 3.394
local terms energy: -77.167127
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -1.073
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -549.750102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.750102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.750102 (E_RNA)
where:
Base-Base interactions energy: -387.279
where: short stacking energy: -153.865
Base-Backbone interact. energy: -0.000
local terms energy: -162.825244
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -31.947
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: -47.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.355 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -545.848029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.848029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.848029 (E_RNA)
where:
Base-Base interactions energy: -391.465
where: short stacking energy: -155.251
Base-Backbone interact. energy: -0.003
local terms energy: -154.379827
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -48.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -541.451400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.451400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.451400 (E_RNA)
where:
Base-Base interactions energy: -387.556
where: short stacking energy: -150.297
Base-Backbone interact. energy: -0.001
local terms energy: -153.894972
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -48.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -511.521240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.521240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.521240 (E_RNA)
where:
Base-Base interactions energy: -372.600
where: short stacking energy: -137.367
Base-Backbone interact. energy: -1.152
local terms energy: -137.769528
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -48.241
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: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -517.868120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.868120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.868120 (E_RNA)
where:
Base-Base interactions energy: -378.341
where: short stacking energy: -146.231
Base-Backbone interact. energy: -0.031
local terms energy: -140.171305
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -46.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.675 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -501.489483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.489483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.489483 (E_RNA)
where:
Base-Base interactions energy: -367.936
where: short stacking energy: -135.509
Base-Backbone interact. energy: -0.064
local terms energy: -133.489626
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -43.984
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: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -369.310402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.310402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.310402 (E_RNA)
where:
Base-Base interactions energy: -256.780
where: short stacking energy: -100.589
Base-Backbone interact. energy: -0.478
local terms energy: -112.052998
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -138.846596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.846596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.846596 (E_RNA)
where:
Base-Base interactions energy: -49.843
where: short stacking energy: -45.747
Base-Backbone interact. energy: -0.326
local terms energy: -88.676724
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -10.014
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -130.398069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.398069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.398069 (E_RNA)
where:
Base-Base interactions energy: -48.469
where: short stacking energy: -31.744
Base-Backbone interact. energy: 0.114
local terms energy: -82.162908
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: 2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.119 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -139.051133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.051133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.051133 (E_RNA)
where:
Base-Base interactions energy: -60.793
where: short stacking energy: -23.078
Base-Backbone interact. energy: 1.597
local terms energy: -79.854775
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: 2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -548.653042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.653042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.653042 (E_RNA)
where:
Base-Base interactions energy: -392.929
where: short stacking energy: -154.487
Base-Backbone interact. energy: -0.001
local terms energy: -155.723225
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -28.988
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -45.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -550.002881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.002881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.002881 (E_RNA)
where:
Base-Base interactions energy: -390.732
where: short stacking energy: -155.338
Base-Backbone interact. energy: -0.005
local terms energy: -160.003911
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -48.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.738 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -533.097227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.097227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.097227 (E_RNA)
where:
Base-Base interactions energy: -377.273
where: short stacking energy: -149.663
Base-Backbone interact. energy: -0.004
local terms energy: -155.820117
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -33.402
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -48.808
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: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -516.234145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.234145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.234145 (E_RNA)
where:
Base-Base interactions energy: -375.670
where: short stacking energy: -142.353
Base-Backbone interact. energy: -0.074
local terms energy: -140.490035
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -28.628
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -44.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -517.894473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.894473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.894473 (E_RNA)
where:
Base-Base interactions energy: -381.309
where: short stacking energy: -145.991
Base-Backbone interact. energy: -0.007
local terms energy: -136.578273
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -44.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -501.835863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.835863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.835863 (E_RNA)
where:
Base-Base interactions energy: -366.157
where: short stacking energy: -142.590
Base-Backbone interact. energy: -0.631
local terms energy: -135.048284
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -42.908
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: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -382.863891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.863891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.863891 (E_RNA)
where:
Base-Base interactions energy: -261.525
where: short stacking energy: -102.423
Base-Backbone interact. energy: 0.213
local terms energy: -121.551704
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -146.090061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.090061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.090061 (E_RNA)
where:
Base-Base interactions energy: -59.825
where: short stacking energy: -38.137
Base-Backbone interact. energy: -0.294
local terms energy: -85.970615
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -26.810
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -12.231
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -141.266939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.266939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.266939 (E_RNA)
where:
Base-Base interactions energy: -58.496
where: short stacking energy: -40.543
Base-Backbone interact. energy: -0.260
local terms energy: -82.984582
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -13.387
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: 0.474 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -116.258383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.258383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.258383 (E_RNA)
where:
Base-Base interactions energy: -32.982
where: short stacking energy: -32.517
Base-Backbone interact. energy: -0.177
local terms energy: -83.099392
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.212
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: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -544.004010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.004010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.004010 (E_RNA)
where:
Base-Base interactions energy: -389.876
where: short stacking energy: -150.419
Base-Backbone interact. energy: -0.046
local terms energy: -154.082051
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -47.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -525.128694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.128694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.128694 (E_RNA)
where:
Base-Base interactions energy: -383.583
where: short stacking energy: -144.268
Base-Backbone interact. energy: -0.042
local terms energy: -141.503377
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -43.933
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -529.044142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.044142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.044142 (E_RNA)
where:
Base-Base interactions energy: -384.772
where: short stacking energy: -144.409
Base-Backbone interact. energy: -0.106
local terms energy: -144.165753
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -46.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -526.019058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.019058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.019058 (E_RNA)
where:
Base-Base interactions energy: -381.979
where: short stacking energy: -144.210
Base-Backbone interact. energy: 0.586
local terms energy: -145.983441
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -29.424
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -45.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.357 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -514.277549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.277549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.277549 (E_RNA)
where:
Base-Base interactions energy: -373.638
where: short stacking energy: -143.704
Base-Backbone interact. energy: -0.214
local terms energy: -140.426318
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -502.567700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.567700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.567700 (E_RNA)
where:
Base-Base interactions energy: -364.698
where: short stacking energy: -138.082
Base-Backbone interact. energy: -0.291
local terms energy: -137.578366
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -43.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -374.603313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.603313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.603313 (E_RNA)
where:
Base-Base interactions energy: -254.846
where: short stacking energy: -107.338
Base-Backbone interact. energy: -0.252
local terms energy: -119.504900
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -28.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -135.100868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.100868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.100868 (E_RNA)
where:
Base-Base interactions energy: -48.338
where: short stacking energy: -48.068
Base-Backbone interact. energy: -1.012
local terms energy: -85.751020
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -141.604237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.604237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.604237 (E_RNA)
where:
Base-Base interactions energy: -64.411
where: short stacking energy: -33.773
Base-Backbone interact. energy: 1.853
local terms energy: -79.046297
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -120.766230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.766230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.766230 (E_RNA)
where:
Base-Base interactions energy: -39.456
where: short stacking energy: -30.536
Base-Backbone interact. energy: -1.980
local terms energy: -79.331041
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -538.288322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.288322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.288322 (E_RNA)
where:
Base-Base interactions energy: -390.291
where: short stacking energy: -153.915
Base-Backbone interact. energy: -0.029
local terms energy: -147.967663
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -30.461
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -542.580373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.580373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.580373 (E_RNA)
where:
Base-Base interactions energy: -385.004
where: short stacking energy: -149.272
Base-Backbone interact. energy: -0.002
local terms energy: -158.964402
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -47.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.391 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -542.777816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.777816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.777816 (E_RNA)
where:
Base-Base interactions energy: -382.844
where: short stacking energy: -148.691
Base-Backbone interact. energy: -0.001
local terms energy: -159.933516
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -48.062
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -501.822260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.822260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.822260 (E_RNA)
where:
Base-Base interactions energy: -362.701
where: short stacking energy: -136.175
Base-Backbone interact. energy: -0.001
local terms energy: -139.120298
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -42.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -530.236586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.236586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.236586 (E_RNA)
where:
Base-Base interactions energy: -373.880
where: short stacking energy: -147.612
Base-Backbone interact. energy: -0.018
local terms energy: -156.338303
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -48.982
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: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -521.417919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.417919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.417919 (E_RNA)
where:
Base-Base interactions energy: -375.768
where: short stacking energy: -151.267
Base-Backbone interact. energy: -0.001
local terms energy: -145.648588
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -26.988
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -45.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -380.957754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.957754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.957754 (E_RNA)
where:
Base-Base interactions energy: -250.879
where: short stacking energy: -92.507
Base-Backbone interact. energy: -0.100
local terms energy: -129.978635
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -32.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -136.780456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.780456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.780456 (E_RNA)
where:
Base-Base interactions energy: -47.465
where: short stacking energy: -38.308
Base-Backbone interact. energy: 0.011
local terms energy: -89.327087
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -12.475
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: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -133.910533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.910533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.910533 (E_RNA)
where:
Base-Base interactions energy: -54.507
where: short stacking energy: -54.607
Base-Backbone interact. energy: -0.553
local terms energy: -79.875902
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -10.035
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: 1.025 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -125.574802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.574802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.574802 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -21.101
Base-Backbone interact. energy: -1.181
local terms energy: -82.691916
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: 6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -543.495698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.495698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.495698 (E_RNA)
where:
Base-Base interactions energy: -395.411
where: short stacking energy: -149.117
Base-Backbone interact. energy: -0.292
local terms energy: -147.792536
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -46.820
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: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -543.259574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.259574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.259574 (E_RNA)
where:
Base-Base interactions energy: -391.313
where: short stacking energy: -152.056
Base-Backbone interact. energy: -0.126
local terms energy: -151.820680
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -45.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -539.999766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.999766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.999766 (E_RNA)
where:
Base-Base interactions energy: -381.113
where: short stacking energy: -153.959
Base-Backbone interact. energy: -0.000
local terms energy: -159.691711
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -48.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.805 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -519.574251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.574251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.574251 (E_RNA)
where:
Base-Base interactions energy: -380.070
where: short stacking energy: -148.475
Base-Backbone interact. energy: -0.285
local terms energy: -139.219010
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -46.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -524.727680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.727680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.727680 (E_RNA)
where:
Base-Base interactions energy: -378.642
where: short stacking energy: -145.492
Base-Backbone interact. energy: -0.004
local terms energy: -147.030344
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -45.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.949 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -502.707261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.707261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.707261 (E_RNA)
where:
Base-Base interactions energy: -360.159
where: short stacking energy: -145.947
Base-Backbone interact. energy: -0.193
local terms energy: -143.593160
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -46.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.238 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -395.712561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.712561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.712561 (E_RNA)
where:
Base-Base interactions energy: -280.061
where: short stacking energy: -99.537
Base-Backbone interact. energy: 0.034
local terms energy: -115.685033
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -24.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -138.558712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.558712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.558712 (E_RNA)
where:
Base-Base interactions energy: -52.857
where: short stacking energy: -50.447
Base-Backbone interact. energy: 3.524
local terms energy: -89.225961
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -17.784
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: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -144.196541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.196541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.196541 (E_RNA)
where:
Base-Base interactions energy: -59.512
where: short stacking energy: -28.988
Base-Backbone interact. energy: 0.734
local terms energy: -85.418572
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -14.524
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -120.145437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.145437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.145437 (E_RNA)
where:
Base-Base interactions energy: -39.511
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.362
local terms energy: -80.272908
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -12.879
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: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -551.141904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.141904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.141904 (E_RNA)
where:
Base-Base interactions energy: -389.486
where: short stacking energy: -149.361
Base-Backbone interact. energy: -0.001
local terms energy: -161.654930
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -32.212
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -48.915
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: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -540.487408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.487408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.487408 (E_RNA)
where:
Base-Base interactions energy: -388.535
where: short stacking energy: -149.617
Base-Backbone interact. energy: 0.714
local terms energy: -152.667237
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -27.231
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -48.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -534.178115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.178115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.178115 (E_RNA)
where:
Base-Base interactions energy: -391.402
where: short stacking energy: -150.886
Base-Backbone interact. energy: -0.006
local terms energy: -142.770071
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -507.867532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.867532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.867532 (E_RNA)
where:
Base-Base interactions energy: -364.693
where: short stacking energy: -144.787
Base-Backbone interact. energy: -0.002
local terms energy: -143.173050
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -41.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -518.817160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.817160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.817160 (E_RNA)
where:
Base-Base interactions energy: -371.299
where: short stacking energy: -143.421
Base-Backbone interact. energy: -0.002
local terms energy: -147.515955
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -47.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -499.921073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.921073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.921073 (E_RNA)
where:
Base-Base interactions energy: -360.767
where: short stacking energy: -139.738
Base-Backbone interact. energy: -0.001
local terms energy: -142.065502
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -43.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.913 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -394.494853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.494853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.494853 (E_RNA)
where:
Base-Base interactions energy: -274.640
where: short stacking energy: -102.528
Base-Backbone interact. energy: -0.106
local terms energy: -119.749674
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -28.173
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -153.228876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.228876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.228876 (E_RNA)
where:
Base-Base interactions energy: -53.477
where: short stacking energy: -44.323
Base-Backbone interact. energy: 1.211
local terms energy: -100.963130
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -131.391891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.391891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.391891 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -33.047
Base-Backbone interact. energy: -0.145
local terms energy: -98.999810
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -15.260
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: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -128.294319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.294319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.294319 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.910
local terms energy: -84.730601
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -16.707
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: 0.279 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -548.396132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.396132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.396132 (E_RNA)
where:
Base-Base interactions energy: -386.014
where: short stacking energy: -154.901
Base-Backbone interact. energy: -0.064
local terms energy: -162.523126
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -31.495
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -47.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.205 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -540.372724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.372724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.372724 (E_RNA)
where:
Base-Base interactions energy: -392.956
where: short stacking energy: -147.227
Base-Backbone interact. energy: -0.165
local terms energy: -147.251949
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -45.257
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: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -521.609678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.609678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.609678 (E_RNA)
where:
Base-Base interactions energy: -388.495
where: short stacking energy: -152.595
Base-Backbone interact. energy: -0.697
local terms energy: -132.417285
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -42.831
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: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -525.430625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.430625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.430625 (E_RNA)
where:
Base-Base interactions energy: -376.686
where: short stacking energy: -146.577
Base-Backbone interact. energy: -0.027
local terms energy: -148.718253
where:
bonds (distance) C4'-P energy: -29.014
bonds (distance) P-C4' energy: -26.004
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -41.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -533.619537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.619537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.619537 (E_RNA)
where:
Base-Base interactions energy: -380.705
where: short stacking energy: -150.882
Base-Backbone interact. energy: -0.312
local terms energy: -152.602149
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -33.302
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -47.867
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: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -494.361620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.361620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.361620 (E_RNA)
where:
Base-Base interactions energy: -352.084
where: short stacking energy: -139.941
Base-Backbone interact. energy: -0.002
local terms energy: -143.613095
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -29.686
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -42.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.338 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -388.864414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.864414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.864414 (E_RNA)
where:
Base-Base interactions energy: -269.218
where: short stacking energy: -102.076
Base-Backbone interact. energy: -0.130
local terms energy: -119.516806
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -124.784630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.784630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.784630 (E_RNA)
where:
Base-Base interactions energy: -46.994
where: short stacking energy: -40.213
Base-Backbone interact. energy: -0.156
local terms energy: -77.861079
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -14.850
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: 0.227 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -142.494070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.494070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.494070 (E_RNA)
where:
Base-Base interactions energy: -61.314
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.128
local terms energy: -81.561000
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.508 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -122.845195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.845195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.845195 (E_RNA)
where:
Base-Base interactions energy: -34.538
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.855
local terms energy: -87.452322
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: 4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -549.048180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.048180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.048180 (E_RNA)
where:
Base-Base interactions energy: -391.811
where: short stacking energy: -152.827
Base-Backbone interact. energy: -0.294
local terms energy: -157.432807
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -47.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.489 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -533.223305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.223305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.223305 (E_RNA)
where:
Base-Base interactions energy: -387.342
where: short stacking energy: -150.249
Base-Backbone interact. energy: -0.199
local terms energy: -145.682361
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -44.398
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: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -530.049761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.049761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.049761 (E_RNA)
where:
Base-Base interactions energy: -382.227
where: short stacking energy: -146.335
Base-Backbone interact. energy: -0.253
local terms energy: -147.570238
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -47.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -536.431811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.431811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.431811 (E_RNA)
where:
Base-Base interactions energy: -380.272
where: short stacking energy: -147.490
Base-Backbone interact. energy: -0.588
local terms energy: -155.572371
where:
bonds (distance) C4'-P energy: -27.151
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -48.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -516.515145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.515145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.515145 (E_RNA)
where:
Base-Base interactions energy: -379.138
where: short stacking energy: -147.328
Base-Backbone interact. energy: -0.003
local terms energy: -137.373780
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: -42.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -491.408808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.408808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.408808 (E_RNA)
where:
Base-Base interactions energy: -346.224
where: short stacking energy: -139.211
Base-Backbone interact. energy: -0.149
local terms energy: -145.036482
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: -43.904
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: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -407.944115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.944115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.944115 (E_RNA)
where:
Base-Base interactions energy: -283.397
where: short stacking energy: -104.349
Base-Backbone interact. energy: -0.844
local terms energy: -124.799463
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -27.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.096 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -138.606487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.606487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.606487 (E_RNA)
where:
Base-Base interactions energy: -45.302
where: short stacking energy: -42.469
Base-Backbone interact. energy: -0.027
local terms energy: -93.277265
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -31.170
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -144.682641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.682641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.682641 (E_RNA)
where:
Base-Base interactions energy: -59.246
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.465
local terms energy: -84.971128
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -123.262914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.262914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.262914 (E_RNA)
where:
Base-Base interactions energy: -40.180
where: short stacking energy: -20.657
Base-Backbone interact. energy: 0.194
local terms energy: -84.678689
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: 1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.402 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -543.832497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.832497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.832497 (E_RNA)
where:
Base-Base interactions energy: -388.012
where: short stacking energy: -146.705
Base-Backbone interact. energy: 0.631
local terms energy: -157.148724
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.697 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -542.994387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.994387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.994387 (E_RNA)
where:
Base-Base interactions energy: -392.934
where: short stacking energy: -153.145
Base-Backbone interact. energy: -0.003
local terms energy: -150.057190
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -44.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -536.564460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.564460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.564460 (E_RNA)
where:
Base-Base interactions energy: -388.781
where: short stacking energy: -149.161
Base-Backbone interact. energy: -0.001
local terms energy: -147.782201
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -47.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -527.743978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.743978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.743978 (E_RNA)
where:
Base-Base interactions energy: -382.384
where: short stacking energy: -148.528
Base-Backbone interact. energy: -0.001
local terms energy: -145.358688
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -44.693
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -506.379590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.379590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.379590 (E_RNA)
where:
Base-Base interactions energy: -372.025
where: short stacking energy: -148.833
Base-Backbone interact. energy: -0.017
local terms energy: -134.337462
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -42.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -506.702853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.702853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.702853 (E_RNA)
where:
Base-Base interactions energy: -367.055
where: short stacking energy: -139.504
Base-Backbone interact. energy: -0.002
local terms energy: -139.645840
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -27.082
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -44.721
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: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -432.805181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.805181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.805181 (E_RNA)
where:
Base-Base interactions energy: -318.123
where: short stacking energy: -112.925
Base-Backbone interact. energy: -0.074
local terms energy: -114.608794
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -37.382
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: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -145.997773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.997773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.997773 (E_RNA)
where:
Base-Base interactions energy: -43.024
where: short stacking energy: -39.339
Base-Backbone interact. energy: -0.327
local terms energy: -102.646510
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -26.568
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -118.278013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.278013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.278013 (E_RNA)
where:
Base-Base interactions energy: -41.785
where: short stacking energy: -29.729
Base-Backbone interact. energy: 0.117
local terms energy: -76.609590
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: 5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -129.281187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.281187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.281187 (E_RNA)
where:
Base-Base interactions energy: -59.208
where: short stacking energy: -52.129
Base-Backbone interact. energy: 1.008
local terms energy: -71.081718
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -6.639
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: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -546.929696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.929696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.929696 (E_RNA)
where:
Base-Base interactions energy: -390.618
where: short stacking energy: -149.037
Base-Backbone interact. energy: -0.005
local terms energy: -158.006766
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -45.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.699 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -547.715180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.715180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.715180 (E_RNA)
where:
Base-Base interactions energy: -392.511
where: short stacking energy: -156.365
Base-Backbone interact. energy: -0.156
local terms energy: -155.048015
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -48.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -528.375748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.375748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.375748 (E_RNA)
where:
Base-Base interactions energy: -378.957
where: short stacking energy: -149.342
Base-Backbone interact. energy: -0.001
local terms energy: -149.417407
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -49.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -520.518634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.518634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.518634 (E_RNA)
where:
Base-Base interactions energy: -381.094
where: short stacking energy: -148.620
Base-Backbone interact. energy: -0.016
local terms energy: -139.408761
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -46.415
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: 117
Temperature: 1.100000
Total energy: -510.356171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.356171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.356171 (E_RNA)
where:
Base-Base interactions energy: -368.011
where: short stacking energy: -142.999
Base-Backbone interact. energy: -0.008
local terms energy: -142.336847
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -47.238
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: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -506.136437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.136437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.136437 (E_RNA)
where:
Base-Base interactions energy: -361.159
where: short stacking energy: -131.663
Base-Backbone interact. energy: -0.004
local terms energy: -144.973790
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -31.241
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -39.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -443.249403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.249403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.249403 (E_RNA)
where:
Base-Base interactions energy: -319.775
where: short stacking energy: -122.402
Base-Backbone interact. energy: -0.389
local terms energy: -123.085290
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -32.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -135.918986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.918986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.918986 (E_RNA)
where:
Base-Base interactions energy: -54.621
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.360
local terms energy: -80.938578
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -1.724
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: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -121.026071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.026071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.026071 (E_RNA)
where:
Base-Base interactions energy: -44.688
where: short stacking energy: -13.889
Base-Backbone interact. energy: -0.613
local terms energy: -75.729780
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: 6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -133.293319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.293319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.293319 (E_RNA)
where:
Base-Base interactions energy: -59.552
where: short stacking energy: -34.155
Base-Backbone interact. energy: -0.291
local terms energy: -73.450220
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: 2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -548.629294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.629294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.629294 (E_RNA)
where:
Base-Base interactions energy: -391.857
where: short stacking energy: -147.785
Base-Backbone interact. energy: -0.018
local terms energy: -157.233708
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -50.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.479 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -538.026787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.026787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.026787 (E_RNA)
where:
Base-Base interactions energy: -390.371
where: short stacking energy: -155.168
Base-Backbone interact. energy: -0.002
local terms energy: -147.654194
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -28.473
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -47.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -522.815645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.815645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.815645 (E_RNA)
where:
Base-Base interactions energy: -383.595
where: short stacking energy: -146.850
Base-Backbone interact. energy: -0.174
local terms energy: -139.046686
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -44.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -524.849600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.849600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.849600 (E_RNA)
where:
Base-Base interactions energy: -376.754
where: short stacking energy: -142.754
Base-Backbone interact. energy: -0.634
local terms energy: -147.461727
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -45.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -514.994249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.994249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.994249 (E_RNA)
where:
Base-Base interactions energy: -366.344
where: short stacking energy: -137.123
Base-Backbone interact. energy: -0.024
local terms energy: -148.626317
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -29.755
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -40.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -526.112088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.112088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.112088 (E_RNA)
where:
Base-Base interactions energy: -380.075
where: short stacking energy: -145.558
Base-Backbone interact. energy: -0.018
local terms energy: -146.018863
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -44.708
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: 118
Temperature: 1.200000
Total energy: -437.729696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.729696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.729696 (E_RNA)
where:
Base-Base interactions energy: -303.190
where: short stacking energy: -112.118
Base-Backbone interact. energy: -0.044
local terms energy: -134.495783
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -29.439
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -40.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -133.796540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.796540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.796540 (E_RNA)
where:
Base-Base interactions energy: -53.600
where: short stacking energy: -43.460
Base-Backbone interact. energy: 3.657
local terms energy: -84.153543
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -8.268
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: 0.300 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -117.461865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.461865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.461865 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -42.439
Base-Backbone interact. energy: -0.563
local terms energy: -73.178539
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -17.255
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: 1.439 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -121.936137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.936137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.936137 (E_RNA)
where:
Base-Base interactions energy: -42.729
where: short stacking energy: -40.810
Base-Backbone interact. energy: -0.154
local terms energy: -79.071047
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: 1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.017 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -548.081684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.081684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.081684 (E_RNA)
where:
Base-Base interactions energy: -390.997
where: short stacking energy: -152.181
Base-Backbone interact. energy: -0.001
local terms energy: -158.931559
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -48.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.848 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -543.084274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.084274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.084274 (E_RNA)
where:
Base-Base interactions energy: -390.040
where: short stacking energy: -156.388
Base-Backbone interact. energy: -0.001
local terms energy: -153.043391
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -29.829
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -525.121001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.121001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.121001 (E_RNA)
where:
Base-Base interactions energy: -380.678
where: short stacking energy: -148.599
Base-Backbone interact. energy: -0.001
local terms energy: -144.441808
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -45.980
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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -510.742605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.742605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.742605 (E_RNA)
where:
Base-Base interactions energy: -366.558
where: short stacking energy: -142.772
Base-Backbone interact. energy: -0.220
local terms energy: -143.964575
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -44.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -524.370831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.370831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.370831 (E_RNA)
where:
Base-Base interactions energy: -369.158
where: short stacking energy: -144.177
Base-Backbone interact. energy: -0.031
local terms energy: -155.181626
where:
bonds (distance) C4'-P energy: -26.606
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -47.434
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: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -511.294071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.294071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.294071 (E_RNA)
where:
Base-Base interactions energy: -364.311
where: short stacking energy: -141.492
Base-Backbone interact. energy: -0.016
local terms energy: -146.967156
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -45.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -506.821907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.821907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.821907 (E_RNA)
where:
Base-Base interactions energy: -371.010
where: short stacking energy: -149.231
Base-Backbone interact. energy: -0.055
local terms energy: -135.757210
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -43.202
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: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -136.889628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.889628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.889628 (E_RNA)
where:
Base-Base interactions energy: -63.186
where: short stacking energy: -25.237
Base-Backbone interact. energy: -0.812
local terms energy: -72.891043
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: 2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -124.201070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.201070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.201070 (E_RNA)
where:
Base-Base interactions energy: -41.096
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.223
local terms energy: -82.882618
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -126.186483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.186483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.186483 (E_RNA)
where:
Base-Base interactions energy: -47.787
where: short stacking energy: -33.756
Base-Backbone interact. energy: -1.158
local terms energy: -77.882566
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: 6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.641 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -550.163731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.163731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.163731 (E_RNA)
where:
Base-Base interactions energy: -393.308
where: short stacking energy: -153.350
Base-Backbone interact. energy: -0.000
local terms energy: -156.855360
where:
bonds (distance) C4'-P energy: -31.152
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -49.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -548.955326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.955326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.955326 (E_RNA)
where:
Base-Base interactions energy: -390.024
where: short stacking energy: -150.466
Base-Backbone interact. energy: -0.283
local terms energy: -158.647979
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -48.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -535.393101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.393101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.393101 (E_RNA)
where:
Base-Base interactions energy: -388.162
where: short stacking energy: -147.688
Base-Backbone interact. energy: -0.049
local terms energy: -147.182253
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -537.884321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.884321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.884321 (E_RNA)
where:
Base-Base interactions energy: -386.420
where: short stacking energy: -145.214
Base-Backbone interact. energy: -0.400
local terms energy: -151.063937
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -46.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -502.363362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.363362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.363362 (E_RNA)
where:
Base-Base interactions energy: -367.620
where: short stacking energy: -148.278
Base-Backbone interact. energy: -0.074
local terms energy: -135.938967
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -39.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.270 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -501.205795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.205795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.205795 (E_RNA)
where:
Base-Base interactions energy: -353.563
where: short stacking energy: -132.764
Base-Backbone interact. energy: -0.077
local terms energy: -147.681981
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -42.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -513.000558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.000558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.000558 (E_RNA)
where:
Base-Base interactions energy: -369.385
where: short stacking energy: -133.897
Base-Backbone interact. energy: -0.000
local terms energy: -143.615395
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -43.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -136.965423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.965423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.965423 (E_RNA)
where:
Base-Base interactions energy: -62.928
where: short stacking energy: -36.189
Base-Backbone interact. energy: -1.464
local terms energy: -72.573173
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: 9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -125.931587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.931587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.931587 (E_RNA)
where:
Base-Base interactions energy: -51.304
where: short stacking energy: -27.488
Base-Backbone interact. energy: -0.587
local terms energy: -75.154162
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -8.637
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: 1.113 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -137.517397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.517397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.517397 (E_RNA)
where:
Base-Base interactions energy: -70.709
where: short stacking energy: -39.754
Base-Backbone interact. energy: -0.358
local terms energy: -66.711334
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -6.294
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -16.773
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: 0.261 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -549.954561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.954561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.954561 (E_RNA)
where:
Base-Base interactions energy: -394.652
where: short stacking energy: -149.770
Base-Backbone interact. energy: -0.156
local terms energy: -155.490275
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -46.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.344 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -546.208589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.208589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.208589 (E_RNA)
where:
Base-Base interactions energy: -385.301
where: short stacking energy: -151.493
Base-Backbone interact. energy: 0.310
local terms energy: -161.217753
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -48.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -521.740017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.740017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.740017 (E_RNA)
where:
Base-Base interactions energy: -383.635
where: short stacking energy: -147.445
Base-Backbone interact. energy: -0.006
local terms energy: -138.099546
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -48.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -494.080717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.080717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.080717 (E_RNA)
where:
Base-Base interactions energy: -359.807
where: short stacking energy: -134.351
Base-Backbone interact. energy: -0.037
local terms energy: -134.478118
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -37.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -522.906840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.906840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.906840 (E_RNA)
where:
Base-Base interactions energy: -378.359
where: short stacking energy: -155.313
Base-Backbone interact. energy: -0.001
local terms energy: -144.546479
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -46.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -515.702295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.702295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.702295 (E_RNA)
where:
Base-Base interactions energy: -375.752
where: short stacking energy: -139.879
Base-Backbone interact. energy: -0.003
local terms energy: -139.946896
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -46.189
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: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -484.483638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.483638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.483638 (E_RNA)
where:
Base-Base interactions energy: -355.800
where: short stacking energy: -130.461
Base-Backbone interact. energy: -0.008
local terms energy: -128.675686
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -41.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -123.523726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.523726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.523726 (E_RNA)
where:
Base-Base interactions energy: -41.523
where: short stacking energy: -39.658
Base-Backbone interact. energy: -0.412
local terms energy: -81.589422
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -20.206
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: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -136.513582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.513582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.513582 (E_RNA)
where:
Base-Base interactions energy: -49.966
where: short stacking energy: -48.318
Base-Backbone interact. energy: 1.023
local terms energy: -87.570501
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -18.563
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: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -134.500900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.500900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.500900 (E_RNA)
where:
Base-Base interactions energy: -41.788
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.612
local terms energy: -92.101322
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -547.496464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.496464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.496464 (E_RNA)
where:
Base-Base interactions energy: -386.476
where: short stacking energy: -145.323
Base-Backbone interact. energy: -0.022
local terms energy: -160.998204
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -45.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -546.626459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.626459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.626459 (E_RNA)
where:
Base-Base interactions energy: -385.728
where: short stacking energy: -152.007
Base-Backbone interact. energy: 0.631
local terms energy: -161.529374
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -529.034346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.034346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.034346 (E_RNA)
where:
Base-Base interactions energy: -383.749
where: short stacking energy: -148.559
Base-Backbone interact. energy: -0.487
local terms energy: -147.217593
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -46.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.419 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -524.546976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.546976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.546976 (E_RNA)
where:
Base-Base interactions energy: -378.730
where: short stacking energy: -149.713
Base-Backbone interact. energy: -0.001
local terms energy: -145.816391
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -29.813
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -23.857
tors. eta vs tors. theta energy: -42.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -532.536975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.536975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.536975 (E_RNA)
where:
Base-Base interactions energy: -375.460
where: short stacking energy: -145.695
Base-Backbone interact. energy: -0.012
local terms energy: -157.065059
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -45.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -502.095535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.095535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.095535 (E_RNA)
where:
Base-Base interactions energy: -366.830
where: short stacking energy: -133.652
Base-Backbone interact. energy: -0.074
local terms energy: -135.191354
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -27.028
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -40.759
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -483.860890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.860890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.860890 (E_RNA)
where:
Base-Base interactions energy: -344.009
where: short stacking energy: -134.541
Base-Backbone interact. energy: -0.580
local terms energy: -139.272211
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -43.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -124.244193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.244193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.244193 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.413
local terms energy: -84.133476
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -20.850
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: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -182.969424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.969424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.969424 (E_RNA)
where:
Base-Base interactions energy: -102.544
where: short stacking energy: -43.790
Base-Backbone interact. energy: -1.155
local terms energy: -79.271236
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -3.486
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -135.330782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.330782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.330782 (E_RNA)
where:
Base-Base interactions energy: -59.280
where: short stacking energy: -27.808
Base-Backbone interact. energy: -0.602
local terms energy: -75.448167
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: 3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -546.190234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.190234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.190234 (E_RNA)
where:
Base-Base interactions energy: -385.728
where: short stacking energy: -151.651
Base-Backbone interact. energy: -0.008
local terms energy: -160.546067
where:
bonds (distance) C4'-P energy: -29.295
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -46.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.091 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -541.669404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.669404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.669404 (E_RNA)
where:
Base-Base interactions energy: -387.944
where: short stacking energy: -151.872
Base-Backbone interact. energy: -0.000
local terms energy: -154.326776
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.602 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -543.052093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.052093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.052093 (E_RNA)
where:
Base-Base interactions energy: -383.557
where: short stacking energy: -147.958
Base-Backbone interact. energy: -0.001
local terms energy: -159.493529
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -32.200
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -47.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -520.036653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.036653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.036653 (E_RNA)
where:
Base-Base interactions energy: -372.656
where: short stacking energy: -142.995
Base-Backbone interact. energy: -1.248
local terms energy: -146.132928
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -29.942
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -45.913
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: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -505.516179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.516179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.516179 (E_RNA)
where:
Base-Base interactions energy: -364.850
where: short stacking energy: -146.292
Base-Backbone interact. energy: -0.659
local terms energy: -140.007649
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -29.134
flat angles P-C4'-P energy: -18.432
tors. eta vs tors. theta energy: -43.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -510.930202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.930202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.930202 (E_RNA)
where:
Base-Base interactions energy: -354.635
where: short stacking energy: -135.800
Base-Backbone interact. energy: 1.335
local terms energy: -157.630299
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -43.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -439.526767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.526767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.526767 (E_RNA)
where:
Base-Base interactions energy: -313.392
where: short stacking energy: -119.111
Base-Backbone interact. energy: -0.053
local terms energy: -126.081459
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -35.543
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: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -248.776552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.776552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.776552 (E_RNA)
where:
Base-Base interactions energy: -153.514
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.135
local terms energy: -95.127589
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -25.793
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -7.502
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: 123
Temperature: 1.300000
Total energy: -125.745488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.745488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.745488 (E_RNA)
where:
Base-Base interactions energy: -49.949
where: short stacking energy: -42.888
Base-Backbone interact. energy: -0.319
local terms energy: -76.509233
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -13.895
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: 1.032 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -125.524396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.524396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.524396 (E_RNA)
where:
Base-Base interactions energy: -65.250
where: short stacking energy: -39.178
Base-Backbone interact. energy: -0.935
local terms energy: -59.339739
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -539.898102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.898102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.898102 (E_RNA)
where:
Base-Base interactions energy: -380.760
where: short stacking energy: -143.978
Base-Backbone interact. energy: -0.002
local terms energy: -159.176178
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -45.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.040 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -549.412085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.412085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.412085 (E_RNA)
where:
Base-Base interactions energy: -398.603
where: short stacking energy: -153.195
Base-Backbone interact. energy: -0.126
local terms energy: -150.682382
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -48.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -538.306946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.306946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.306946 (E_RNA)
where:
Base-Base interactions energy: -385.311
where: short stacking energy: -149.912
Base-Backbone interact. energy: -0.007
local terms energy: -152.989347
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -50.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -510.139104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.139104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.139104 (E_RNA)
where:
Base-Base interactions energy: -365.393
where: short stacking energy: -139.304
Base-Backbone interact. energy: -0.521
local terms energy: -144.933396
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.709 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -511.011863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.011863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.011863 (E_RNA)
where:
Base-Base interactions energy: -370.891
where: short stacking energy: -143.279
Base-Backbone interact. energy: -0.015
local terms energy: -140.105940
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -27.409
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -44.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -511.109737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.109737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.109737 (E_RNA)
where:
Base-Base interactions energy: -369.726
where: short stacking energy: -138.692
Base-Backbone interact. energy: -0.004
local terms energy: -141.380358
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -43.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -439.754196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.754196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.754196 (E_RNA)
where:
Base-Base interactions energy: -323.332
where: short stacking energy: -123.738
Base-Backbone interact. energy: -0.280
local terms energy: -116.142005
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -28.486
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: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -251.850227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.850227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.850227 (E_RNA)
where:
Base-Base interactions energy: -151.788
where: short stacking energy: -61.123
Base-Backbone interact. energy: -0.183
local terms energy: -99.879214
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -123.953515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.953515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.953515 (E_RNA)
where:
Base-Base interactions energy: -35.837
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.481
local terms energy: -87.635209
where:
bonds (distance) C4'-P energy: -25.696
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -12.457
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: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -117.710465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.710465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.710465 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -30.176
Base-Backbone interact. energy: -1.175
local terms energy: -81.307513
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -11.232
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: 0.047 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -542.189619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.189619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.189619 (E_RNA)
where:
Base-Base interactions energy: -387.007
where: short stacking energy: -152.225
Base-Backbone interact. energy: -0.003
local terms energy: -157.056461
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.877 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -542.158504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.158504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.158504 (E_RNA)
where:
Base-Base interactions energy: -386.049
where: short stacking energy: -149.760
Base-Backbone interact. energy: -0.004
local terms energy: -156.106161
where:
bonds (distance) C4'-P energy: -26.648
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -47.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -534.090716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.090716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.090716 (E_RNA)
where:
Base-Base interactions energy: -372.860
where: short stacking energy: -141.531
Base-Backbone interact. energy: -0.000
local terms energy: -161.230646
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -47.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -515.207759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.207759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.207759 (E_RNA)
where:
Base-Base interactions energy: -376.324
where: short stacking energy: -149.995
Base-Backbone interact. energy: -0.649
local terms energy: -138.234070
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -42.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -523.036755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.036755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.036755 (E_RNA)
where:
Base-Base interactions energy: -377.898
where: short stacking energy: -140.213
Base-Backbone interact. energy: -0.419
local terms energy: -144.719320
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -44.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -505.389591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.389591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.389591 (E_RNA)
where:
Base-Base interactions energy: -359.778
where: short stacking energy: -141.091
Base-Backbone interact. energy: -0.040
local terms energy: -145.572391
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -44.332
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: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -448.961641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.961641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.961641 (E_RNA)
where:
Base-Base interactions energy: -320.762
where: short stacking energy: -126.465
Base-Backbone interact. energy: -0.362
local terms energy: -127.838427
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -39.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -288.484471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.484471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.484471 (E_RNA)
where:
Base-Base interactions energy: -195.197
where: short stacking energy: -90.395
Base-Backbone interact. energy: -0.618
local terms energy: -92.669096
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -131.360778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.360778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.360778 (E_RNA)
where:
Base-Base interactions energy: -42.202
where: short stacking energy: -36.973
Base-Backbone interact. energy: -1.534
local terms energy: -87.624862
where:
bonds (distance) C4'-P energy: -24.137
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -110.616760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.616760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.616760 (E_RNA)
where:
Base-Base interactions energy: -33.650
where: short stacking energy: -27.683
Base-Backbone interact. energy: -0.273
local terms energy: -76.693553
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -542.914862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.914862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.914862 (E_RNA)
where:
Base-Base interactions energy: -378.784
where: short stacking energy: -145.970
Base-Backbone interact. energy: -0.013
local terms energy: -164.118384
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -30.568
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -46.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -535.423487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.423487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.423487 (E_RNA)
where:
Base-Base interactions energy: -379.510
where: short stacking energy: -150.049
Base-Backbone interact. energy: -0.002
local terms energy: -155.911307
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -49.051
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: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -543.607575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.607575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.607575 (E_RNA)
where:
Base-Base interactions energy: -390.465
where: short stacking energy: -153.227
Base-Backbone interact. energy: -0.001
local terms energy: -153.141674
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -47.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -518.187818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.187818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.187818 (E_RNA)
where:
Base-Base interactions energy: -375.156
where: short stacking energy: -142.272
Base-Backbone interact. energy: -0.156
local terms energy: -142.876090
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -42.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -505.978359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.978359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.978359 (E_RNA)
where:
Base-Base interactions energy: -364.173
where: short stacking energy: -143.344
Base-Backbone interact. energy: -0.003
local terms energy: -141.802143
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -40.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -499.386312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.386312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.386312 (E_RNA)
where:
Base-Base interactions energy: -355.010
where: short stacking energy: -135.058
Base-Backbone interact. energy: -0.003
local terms energy: -144.373327
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -39.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -455.780949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.780949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.780949 (E_RNA)
where:
Base-Base interactions energy: -332.078
where: short stacking energy: -126.212
Base-Backbone interact. energy: -0.370
local terms energy: -123.332608
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -26.171
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -35.544
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: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -357.622889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.622889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.622889 (E_RNA)
where:
Base-Base interactions energy: -229.725
where: short stacking energy: -84.096
Base-Backbone interact. energy: -0.590
local terms energy: -127.308113
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -26.004
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -28.426
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: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -160.576325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.576325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.576325 (E_RNA)
where:
Base-Base interactions energy: -80.256
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.360
local terms energy: -79.960401
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -120.433851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.433851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.433851 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -33.993
Base-Backbone interact. energy: -0.331
local terms energy: -83.652480
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -537.964005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.964005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.964005 (E_RNA)
where:
Base-Base interactions energy: -388.226
where: short stacking energy: -146.078
Base-Backbone interact. energy: -0.294
local terms energy: -149.444710
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -47.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -545.559953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.559953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.559953 (E_RNA)
where:
Base-Base interactions energy: -384.397
where: short stacking energy: -150.957
Base-Backbone interact. energy: -0.470
local terms energy: -160.692225
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -47.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -526.741572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.741572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.741572 (E_RNA)
where:
Base-Base interactions energy: -384.460
where: short stacking energy: -150.514
Base-Backbone interact. energy: -0.123
local terms energy: -142.177609
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -47.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.019 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -505.541555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.541555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.541555 (E_RNA)
where:
Base-Base interactions energy: -370.714
where: short stacking energy: -140.651
Base-Backbone interact. energy: -0.125
local terms energy: -134.702555
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -29.769
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -39.792
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: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -529.999842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.999842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.999842 (E_RNA)
where:
Base-Base interactions energy: -383.445
where: short stacking energy: -150.384
Base-Backbone interact. energy: -0.001
local terms energy: -146.554656
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -44.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -472.750339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.750339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.750339 (E_RNA)
where:
Base-Base interactions energy: -344.575
where: short stacking energy: -129.658
Base-Backbone interact. energy: -0.103
local terms energy: -128.071641
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -34.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -499.290585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.290585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.290585 (E_RNA)
where:
Base-Base interactions energy: -361.168
where: short stacking energy: -137.856
Base-Backbone interact. energy: -0.005
local terms energy: -138.117930
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -44.694
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: 127
Temperature: 1.250000
Total energy: -218.712888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.712888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.712888 (E_RNA)
where:
Base-Base interactions energy: -121.025
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.959
local terms energy: -96.729061
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -6.351
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: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -321.504928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.504928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.504928 (E_RNA)
where:
Base-Base interactions energy: -221.798
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.358
local terms energy: -99.348716
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -133.221062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.221062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.221062 (E_RNA)
where:
Base-Base interactions energy: -50.732
where: short stacking energy: -31.590
Base-Backbone interact. energy: -1.986
local terms energy: -81.467934
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -26.882
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -11.644
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: 0.965 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -544.040916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.040916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.040916 (E_RNA)
where:
Base-Base interactions energy: -389.855
where: short stacking energy: -153.478
Base-Backbone interact. energy: -0.060
local terms energy: -154.125677
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -48.632
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -546.911052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.911052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.911052 (E_RNA)
where:
Base-Base interactions energy: -387.382
where: short stacking energy: -143.923
Base-Backbone interact. energy: -0.122
local terms energy: -159.407679
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -45.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -525.334716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.334716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.334716 (E_RNA)
where:
Base-Base interactions energy: -372.097
where: short stacking energy: -145.070
Base-Backbone interact. energy: -0.004
local terms energy: -153.233127
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -29.364
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -45.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -514.391183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.391183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.391183 (E_RNA)
where:
Base-Base interactions energy: -374.672
where: short stacking energy: -140.317
Base-Backbone interact. energy: -0.599
local terms energy: -139.120322
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -43.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -529.696409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.696409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.696409 (E_RNA)
where:
Base-Base interactions energy: -374.410
where: short stacking energy: -149.205
Base-Backbone interact. energy: -0.018
local terms energy: -155.267983
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -46.189
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: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -493.413189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.413189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.413189 (E_RNA)
where:
Base-Base interactions energy: -362.575
where: short stacking energy: -141.524
Base-Backbone interact. energy: -0.003
local terms energy: -130.834751
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -41.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -496.884986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.884986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.884986 (E_RNA)
where:
Base-Base interactions energy: -368.134
where: short stacking energy: -141.511
Base-Backbone interact. energy: -0.001
local terms energy: -128.750081
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -45.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -247.915619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.915619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.915619 (E_RNA)
where:
Base-Base interactions energy: -156.964
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.353
local terms energy: -90.598667
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -313.686287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.686287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.686287 (E_RNA)
where:
Base-Base interactions energy: -215.009
where: short stacking energy: -81.868
Base-Backbone interact. energy: -0.643
local terms energy: -98.034331
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -116.986593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.986593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.986593 (E_RNA)
where:
Base-Base interactions energy: -36.179
where: short stacking energy: -33.655
Base-Backbone interact. energy: 0.546
local terms energy: -81.354364
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -13.583
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: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -553.951566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.951566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.951566 (E_RNA)
where:
Base-Base interactions energy: -394.540
where: short stacking energy: -147.351
Base-Backbone interact. energy: 0.933
local terms energy: -160.585609
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -25.675
tors. eta vs tors. theta energy: -48.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -532.393058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.393058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.393058 (E_RNA)
where:
Base-Base interactions energy: -381.601
where: short stacking energy: -141.981
Base-Backbone interact. energy: -0.072
local terms energy: -150.720087
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -42.277
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: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -543.964751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.964751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.964751 (E_RNA)
where:
Base-Base interactions energy: -392.248
where: short stacking energy: -154.206
Base-Backbone interact. energy: -0.001
local terms energy: -151.715790
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -50.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -520.555457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.555457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.555457 (E_RNA)
where:
Base-Base interactions energy: -376.336
where: short stacking energy: -146.164
Base-Backbone interact. energy: -0.107
local terms energy: -144.346168
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -46.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.233 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -526.355901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.355901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.355901 (E_RNA)
where:
Base-Base interactions energy: -387.507
where: short stacking energy: -153.047
Base-Backbone interact. energy: -0.009
local terms energy: -138.840062
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -47.329
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: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -493.806331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.806331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.806331 (E_RNA)
where:
Base-Base interactions energy: -362.604
where: short stacking energy: -141.992
Base-Backbone interact. energy: -0.093
local terms energy: -131.109542
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -39.939
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: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -490.833832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.833832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.833832 (E_RNA)
where:
Base-Base interactions energy: -359.709
where: short stacking energy: -139.018
Base-Backbone interact. energy: -0.016
local terms energy: -131.108216
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -326.427771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.427771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.427771 (E_RNA)
where:
Base-Base interactions energy: -210.642
where: short stacking energy: -81.660
Base-Backbone interact. energy: -0.669
local terms energy: -115.117520
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -24.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -257.272526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.272526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.272526 (E_RNA)
where:
Base-Base interactions energy: -151.299
where: short stacking energy: -70.584
Base-Backbone interact. energy: -0.346
local terms energy: -105.627278
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -127.623490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.623490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.623490 (E_RNA)
where:
Base-Base interactions energy: -38.271
where: short stacking energy: -35.351
Base-Backbone interact. energy: 0.757
local terms energy: -90.854610
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -28.511
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -16.097
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: 0.745 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -547.276556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.276556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.276556 (E_RNA)
where:
Base-Base interactions energy: -396.645
where: short stacking energy: -152.712
Base-Backbone interact. energy: -0.649
local terms energy: -149.983195
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -48.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -535.464140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.464140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.464140 (E_RNA)
where:
Base-Base interactions energy: -382.655
where: short stacking energy: -143.818
Base-Backbone interact. energy: -0.010
local terms energy: -152.799707
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -46.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -536.400381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.400381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.400381 (E_RNA)
where:
Base-Base interactions energy: -383.437
where: short stacking energy: -146.400
Base-Backbone interact. energy: -0.002
local terms energy: -152.961178
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -46.201
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: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -528.711503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.711503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.711503 (E_RNA)
where:
Base-Base interactions energy: -379.319
where: short stacking energy: -143.486
Base-Backbone interact. energy: -0.062
local terms energy: -149.329759
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -45.775
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: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -499.403257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.403257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.403257 (E_RNA)
where:
Base-Base interactions energy: -358.841
where: short stacking energy: -140.652
Base-Backbone interact. energy: -0.023
local terms energy: -140.538948
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -41.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -512.962948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.962948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.962948 (E_RNA)
where:
Base-Base interactions energy: -368.470
where: short stacking energy: -145.076
Base-Backbone interact. energy: -0.011
local terms energy: -144.481656
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -32.204
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -45.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -513.937381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.937381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.937381 (E_RNA)
where:
Base-Base interactions energy: -373.527
where: short stacking energy: -141.875
Base-Backbone interact. energy: -0.006
local terms energy: -140.403937
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -44.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -323.203616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.203616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.203616 (E_RNA)
where:
Base-Base interactions energy: -204.707
where: short stacking energy: -85.149
Base-Backbone interact. energy: -0.264
local terms energy: -118.232152
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -253.512097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.512097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.512097 (E_RNA)
where:
Base-Base interactions energy: -142.270
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.687
local terms energy: -111.063980
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.509 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -133.695240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.695240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.695240 (E_RNA)
where:
Base-Base interactions energy: -51.333
where: short stacking energy: -44.301
Base-Backbone interact. energy: 3.231
local terms energy: -85.593594
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -543.373802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.373802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.373802 (E_RNA)
where:
Base-Base interactions energy: -383.896
where: short stacking energy: -149.171
Base-Backbone interact. energy: -0.000
local terms energy: -159.477150
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -47.604
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: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -549.816437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.816437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.816437 (E_RNA)
where:
Base-Base interactions energy: -388.392
where: short stacking energy: -158.723
Base-Backbone interact. energy: -0.001
local terms energy: -161.422831
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -47.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -536.711047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.711047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.711047 (E_RNA)
where:
Base-Base interactions energy: -387.048
where: short stacking energy: -151.952
Base-Backbone interact. energy: -0.042
local terms energy: -149.620872
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -43.788
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: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -515.387161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.387161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.387161 (E_RNA)
where:
Base-Base interactions energy: -364.717
where: short stacking energy: -147.340
Base-Backbone interact. energy: -0.003
local terms energy: -150.685865
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -32.186
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -46.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.019 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -513.102938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.102938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.102938 (E_RNA)
where:
Base-Base interactions energy: -371.924
where: short stacking energy: -144.031
Base-Backbone interact. energy: -0.591
local terms energy: -140.587547
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -47.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -490.810202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.810202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.810202 (E_RNA)
where:
Base-Base interactions energy: -357.346
where: short stacking energy: -137.799
Base-Backbone interact. energy: -0.080
local terms energy: -133.384457
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -28.924
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -42.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -501.918547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.918547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.918547 (E_RNA)
where:
Base-Base interactions energy: -357.018
where: short stacking energy: -135.213
Base-Backbone interact. energy: -0.213
local terms energy: -144.688362
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -44.829
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: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -351.848193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.848193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.848193 (E_RNA)
where:
Base-Base interactions energy: -234.939
where: short stacking energy: -96.415
Base-Backbone interact. energy: -0.732
local terms energy: -116.562360
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -26.936
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -27.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -251.198780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.198780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.198780 (E_RNA)
where:
Base-Base interactions energy: -159.003
where: short stacking energy: -64.788
Base-Backbone interact. energy: -1.625
local terms energy: -90.570799
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -5.771
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: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -131.222178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.222178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.222178 (E_RNA)
where:
Base-Base interactions energy: -58.946
where: short stacking energy: -41.067
Base-Backbone interact. energy: 1.965
local terms energy: -74.241467
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -548.908702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.908702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.908702 (E_RNA)
where:
Base-Base interactions energy: -387.887
where: short stacking energy: -152.937
Base-Backbone interact. energy: -0.002
local terms energy: -161.020396
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -48.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -543.185305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.185305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.185305 (E_RNA)
where:
Base-Base interactions energy: -397.747
where: short stacking energy: -153.792
Base-Backbone interact. energy: -0.197
local terms energy: -145.240892
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -27.804
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -44.432
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: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -535.066458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.066458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.066458 (E_RNA)
where:
Base-Base interactions energy: -382.496
where: short stacking energy: -146.730
Base-Backbone interact. energy: -0.001
local terms energy: -152.568941
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -30.965
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -44.324
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: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -520.742362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.742362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.742362 (E_RNA)
where:
Base-Base interactions energy: -375.951
where: short stacking energy: -141.190
Base-Backbone interact. energy: -0.317
local terms energy: -144.473633
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -45.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -507.420701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.420701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.420701 (E_RNA)
where:
Base-Base interactions energy: -371.361
where: short stacking energy: -147.101
Base-Backbone interact. energy: -0.368
local terms energy: -135.691275
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -41.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -499.874093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.874093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.874093 (E_RNA)
where:
Base-Base interactions energy: -372.568
where: short stacking energy: -142.436
Base-Backbone interact. energy: -0.216
local terms energy: -127.089606
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -43.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -484.232924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.232924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.232924 (E_RNA)
where:
Base-Base interactions energy: -353.631
where: short stacking energy: -136.893
Base-Backbone interact. energy: -0.005
local terms energy: -130.596981
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -39.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -363.536726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.536726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.536726 (E_RNA)
where:
Base-Base interactions energy: -247.197
where: short stacking energy: -94.190
Base-Backbone interact. energy: -0.103
local terms energy: -116.237139
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -272.382554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.382554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.382554 (E_RNA)
where:
Base-Base interactions energy: -172.143
where: short stacking energy: -75.545
Base-Backbone interact. energy: 1.902
local terms energy: -102.141612
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -28.216
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -116.873742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.873742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.873742 (E_RNA)
where:
Base-Base interactions energy: -46.373
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.261
local terms energy: -70.239794
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: 6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -546.104631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.104631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.104631 (E_RNA)
where:
Base-Base interactions energy: -388.392
where: short stacking energy: -148.530
Base-Backbone interact. energy: -0.021
local terms energy: -157.691221
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -42.980
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: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -531.879595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.879595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.879595 (E_RNA)
where:
Base-Base interactions energy: -382.245
where: short stacking energy: -145.110
Base-Backbone interact. energy: 2.468
local terms energy: -152.102851
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -41.249
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: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -534.331501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.331501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.331501 (E_RNA)
where:
Base-Base interactions energy: -379.011
where: short stacking energy: -147.595
Base-Backbone interact. energy: -0.039
local terms energy: -155.280866
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -47.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -523.385463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.385463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.385463 (E_RNA)
where:
Base-Base interactions energy: -369.464
where: short stacking energy: -146.027
Base-Backbone interact. energy: -0.004
local terms energy: -155.023384
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -46.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.106 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -508.944912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.944912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.944912 (E_RNA)
where:
Base-Base interactions energy: -372.768
where: short stacking energy: -143.924
Base-Backbone interact. energy: -0.002
local terms energy: -136.174724
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -45.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -498.289836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.289836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.289836 (E_RNA)
where:
Base-Base interactions energy: -358.965
where: short stacking energy: -136.273
Base-Backbone interact. energy: -0.002
local terms energy: -139.323148
where:
bonds (distance) C4'-P energy: -24.613
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -40.367
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: 133
Temperature: 1.200000
Total energy: -490.890356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.890356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.890356 (E_RNA)
where:
Base-Base interactions energy: -357.347
where: short stacking energy: -143.308
Base-Backbone interact. energy: -0.005
local terms energy: -133.538796
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -43.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -384.310668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.310668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.310668 (E_RNA)
where:
Base-Base interactions energy: -257.981
where: short stacking energy: -108.580
Base-Backbone interact. energy: -0.307
local terms energy: -126.023100
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -29.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -288.016662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.016662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.016662 (E_RNA)
where:
Base-Base interactions energy: -186.235
where: short stacking energy: -70.872
Base-Backbone interact. energy: -0.151
local terms energy: -102.222313
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.592 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -117.489496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.489496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.489496 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -27.509
Base-Backbone interact. energy: -0.763
local terms energy: -81.484970
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -25.535
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: 3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -544.696933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.696933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.696933 (E_RNA)
where:
Base-Base interactions energy: -389.794
where: short stacking energy: -147.276
Base-Backbone interact. energy: -0.000
local terms energy: -154.902740
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -47.328
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: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -539.143535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.143535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.143535 (E_RNA)
where:
Base-Base interactions energy: -382.099
where: short stacking energy: -147.682
Base-Backbone interact. energy: -0.003
local terms energy: -157.041054
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -31.439
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -46.235
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: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -533.858070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.858070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.858070 (E_RNA)
where:
Base-Base interactions energy: -389.858
where: short stacking energy: -151.770
Base-Backbone interact. energy: -0.134
local terms energy: -143.865677
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -44.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -516.896333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.896333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.896333 (E_RNA)
where:
Base-Base interactions energy: -379.062
where: short stacking energy: -144.276
Base-Backbone interact. energy: -0.004
local terms energy: -137.830693
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -41.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -517.576805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.576805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.576805 (E_RNA)
where:
Base-Base interactions energy: -371.851
where: short stacking energy: -144.194
Base-Backbone interact. energy: -0.075
local terms energy: -146.793321
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -45.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.142 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -507.329207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.329207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.329207 (E_RNA)
where:
Base-Base interactions energy: -373.100
where: short stacking energy: -143.748
Base-Backbone interact. energy: -0.006
local terms energy: -134.223516
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -46.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -506.293911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.293911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.293911 (E_RNA)
where:
Base-Base interactions energy: -361.286
where: short stacking energy: -141.792
Base-Backbone interact. energy: 2.335
local terms energy: -147.342804
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -44.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -382.458801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.458801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.458801 (E_RNA)
where:
Base-Base interactions energy: -255.458
where: short stacking energy: -104.931
Base-Backbone interact. energy: -0.343
local terms energy: -126.658188
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -30.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -319.420979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.420979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.420979 (E_RNA)
where:
Base-Base interactions energy: -215.001
where: short stacking energy: -91.976
Base-Backbone interact. energy: 0.328
local terms energy: -104.748294
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -19.387
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: 134
Temperature: 1.350000
Total energy: -115.700076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.700076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.700076 (E_RNA)
where:
Base-Base interactions energy: -34.984
where: short stacking energy: -17.126
Base-Backbone interact. energy: -0.650
local terms energy: -80.066169
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: 12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -541.147275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.147275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.147275 (E_RNA)
where:
Base-Base interactions energy: -383.497
where: short stacking energy: -150.404
Base-Backbone interact. energy: -0.001
local terms energy: -157.649103
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -47.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -526.942403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.942403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.942403 (E_RNA)
where:
Base-Base interactions energy: -380.650
where: short stacking energy: -149.157
Base-Backbone interact. energy: -0.019
local terms energy: -146.273188
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -47.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -535.995748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.995748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.995748 (E_RNA)
where:
Base-Base interactions energy: -387.712
where: short stacking energy: -155.767
Base-Backbone interact. energy: -0.002
local terms energy: -148.282038
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -31.195
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -44.358
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: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -524.774953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.774953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.774953 (E_RNA)
where:
Base-Base interactions energy: -370.868
where: short stacking energy: -143.662
Base-Backbone interact. energy: -0.001
local terms energy: -153.905587
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -30.517
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -45.056
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: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -526.946374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.946374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.946374 (E_RNA)
where:
Base-Base interactions energy: -380.694
where: short stacking energy: -146.758
Base-Backbone interact. energy: -0.006
local terms energy: -146.530976
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -45.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.285 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -518.057313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.057313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.057313 (E_RNA)
where:
Base-Base interactions energy: -375.269
where: short stacking energy: -150.686
Base-Backbone interact. energy: -0.002
local terms energy: -142.785868
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -45.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -491.214167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.214167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.214167 (E_RNA)
where:
Base-Base interactions energy: -367.739
where: short stacking energy: -142.992
Base-Backbone interact. energy: -0.015
local terms energy: -125.913599
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -44.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.453 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -375.167174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.167174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.167174 (E_RNA)
where:
Base-Base interactions energy: -251.775
where: short stacking energy: -104.320
Base-Backbone interact. energy: -0.255
local terms energy: -123.136691
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -27.735
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: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -270.267944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.267944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.267944 (E_RNA)
where:
Base-Base interactions energy: -161.966
where: short stacking energy: -64.432
Base-Backbone interact. energy: 0.465
local terms energy: -108.767394
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -147.324289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.324289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.324289 (E_RNA)
where:
Base-Base interactions energy: -63.403
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.630
local terms energy: -83.290608
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -17.660
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: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -538.531004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.531004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.531004 (E_RNA)
where:
Base-Base interactions energy: -383.929
where: short stacking energy: -150.522
Base-Backbone interact. energy: -0.164
local terms energy: -154.438165
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -46.803
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: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -538.404050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.404050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.404050 (E_RNA)
where:
Base-Base interactions energy: -389.235
where: short stacking energy: -145.937
Base-Backbone interact. energy: -0.022
local terms energy: -149.147531
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -48.869
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: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -531.139556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.139556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.139556 (E_RNA)
where:
Base-Base interactions energy: -378.332
where: short stacking energy: -146.648
Base-Backbone interact. energy: -0.004
local terms energy: -152.829245
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -47.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.026 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -530.635931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.635931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.635931 (E_RNA)
where:
Base-Base interactions energy: -379.971
where: short stacking energy: -146.944
Base-Backbone interact. energy: -0.000
local terms energy: -151.055882
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.391 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -505.208416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.208416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.208416 (E_RNA)
where:
Base-Base interactions energy: -368.964
where: short stacking energy: -140.653
Base-Backbone interact. energy: -0.011
local terms energy: -136.282064
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.049 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -512.813463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.813463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.813463 (E_RNA)
where:
Base-Base interactions energy: -363.630
where: short stacking energy: -139.557
Base-Backbone interact. energy: -0.025
local terms energy: -149.157777
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -32.356
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -496.062355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.062355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.062355 (E_RNA)
where:
Base-Base interactions energy: -369.469
where: short stacking energy: -140.357
Base-Backbone interact. energy: -0.030
local terms energy: -126.563776
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -42.065
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: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -388.243652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.243652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.243652 (E_RNA)
where:
Base-Base interactions energy: -264.548
where: short stacking energy: -104.026
Base-Backbone interact. energy: -0.029
local terms energy: -123.666929
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -27.379
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -263.529605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.529605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.529605 (E_RNA)
where:
Base-Base interactions energy: -157.376
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.019
local terms energy: -106.134867
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -151.958777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.958777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.958777 (E_RNA)
where:
Base-Base interactions energy: -90.000
where: short stacking energy: -37.423
Base-Backbone interact. energy: -1.494
local terms energy: -60.465019
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -6.589
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: 2.383
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: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -541.158782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.158782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.158782 (E_RNA)
where:
Base-Base interactions energy: -388.571
where: short stacking energy: -151.039
Base-Backbone interact. energy: -0.140
local terms energy: -152.447725
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -45.480
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: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -530.801124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.801124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.801124 (E_RNA)
where:
Base-Base interactions energy: -390.707
where: short stacking energy: -147.830
Base-Backbone interact. energy: -0.043
local terms energy: -140.411420
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -45.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.360 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -530.944045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.944045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.944045 (E_RNA)
where:
Base-Base interactions energy: -381.205
where: short stacking energy: -147.119
Base-Backbone interact. energy: -0.000
local terms energy: -149.738834
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -43.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -526.391741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.391741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.391741 (E_RNA)
where:
Base-Base interactions energy: -384.065
where: short stacking energy: -150.894
Base-Backbone interact. energy: -0.009
local terms energy: -143.031484
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -46.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.714 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -505.732492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.732492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.732492 (E_RNA)
where:
Base-Base interactions energy: -360.183
where: short stacking energy: -134.481
Base-Backbone interact. energy: 1.217
local terms energy: -147.190537
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -41.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.425 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -495.435247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.435247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.435247 (E_RNA)
where:
Base-Base interactions energy: -360.633
where: short stacking energy: -142.103
Base-Backbone interact. energy: -0.253
local terms energy: -134.549268
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -42.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -488.931857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.931857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.931857 (E_RNA)
where:
Base-Base interactions energy: -355.965
where: short stacking energy: -137.959
Base-Backbone interact. energy: -0.011
local terms energy: -132.956638
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -43.572
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: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -377.905638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.905638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.905638 (E_RNA)
where:
Base-Base interactions energy: -263.425
where: short stacking energy: -107.046
Base-Backbone interact. energy: 1.513
local terms energy: -116.232290
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.238 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -262.596658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.596658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.596658 (E_RNA)
where:
Base-Base interactions energy: -163.779
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.943
local terms energy: -97.875230
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -129.420839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.420839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.420839 (E_RNA)
where:
Base-Base interactions energy: -43.535
where: short stacking energy: -41.010
Base-Backbone interact. energy: 1.141
local terms energy: -87.026398
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -13.508
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: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -544.683298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.683298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.683298 (E_RNA)
where:
Base-Base interactions energy: -386.880
where: short stacking energy: -144.971
Base-Backbone interact. energy: -0.002
local terms energy: -157.800943
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -31.831
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -45.835
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: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -540.280232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.280232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.280232 (E_RNA)
where:
Base-Base interactions energy: -385.904
where: short stacking energy: -148.703
Base-Backbone interact. energy: -0.012
local terms energy: -154.364008
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -47.807
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: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -528.997832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.997832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.997832 (E_RNA)
where:
Base-Base interactions energy: -389.244
where: short stacking energy: -153.543
Base-Backbone interact. energy: -0.000
local terms energy: -141.912206
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -45.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.159 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -528.370474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.370474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.370474 (E_RNA)
where:
Base-Base interactions energy: -375.012
where: short stacking energy: -142.738
Base-Backbone interact. energy: -0.001
local terms energy: -153.957108
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -48.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.599 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -514.499243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.499243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.499243 (E_RNA)
where:
Base-Base interactions energy: -369.537
where: short stacking energy: -142.009
Base-Backbone interact. energy: -0.007
local terms energy: -144.954694
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -32.807
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -42.035
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: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -502.016898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.016898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.016898 (E_RNA)
where:
Base-Base interactions energy: -361.602
where: short stacking energy: -138.025
Base-Backbone interact. energy: -0.065
local terms energy: -140.349264
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -27.439
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -46.146
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: 138
Temperature: 1.200000
Total energy: -488.284298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.284298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.284298 (E_RNA)
where:
Base-Base interactions energy: -354.483
where: short stacking energy: -132.642
Base-Backbone interact. energy: -0.083
local terms energy: -137.791236
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -42.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.073 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -397.185344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.185344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.185344 (E_RNA)
where:
Base-Base interactions energy: -277.970
where: short stacking energy: -114.303
Base-Backbone interact. energy: 0.747
local terms energy: -119.961665
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -31.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -285.610218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.610218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.610218 (E_RNA)
where:
Base-Base interactions energy: -193.036
where: short stacking energy: -79.784
Base-Backbone interact. energy: -0.280
local terms energy: -92.293908
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -112.683402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.683402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.683402 (E_RNA)
where:
Base-Base interactions energy: -42.564
where: short stacking energy: -34.882
Base-Backbone interact. energy: -0.538
local terms energy: -69.581965
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: 3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -546.003596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.003596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.003596 (E_RNA)
where:
Base-Base interactions energy: -388.502
where: short stacking energy: -152.773
Base-Backbone interact. energy: -0.001
local terms energy: -157.501519
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -48.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -544.090073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.090073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.090073 (E_RNA)
where:
Base-Base interactions energy: -388.939
where: short stacking energy: -150.981
Base-Backbone interact. energy: -0.000
local terms energy: -155.229343
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -44.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -542.260337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.260337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.260337 (E_RNA)
where:
Base-Base interactions energy: -397.448
where: short stacking energy: -156.483
Base-Backbone interact. energy: -0.000
local terms energy: -144.812034
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -49.507
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: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -528.254994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.254994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.254994 (E_RNA)
where:
Base-Base interactions energy: -380.871
where: short stacking energy: -146.325
Base-Backbone interact. energy: -0.126
local terms energy: -147.257690
where:
bonds (distance) C4'-P energy: -29.242
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -44.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -524.044707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.044707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.044707 (E_RNA)
where:
Base-Base interactions energy: -371.794
where: short stacking energy: -146.626
Base-Backbone interact. energy: -0.001
local terms energy: -152.874165
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -47.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.625 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -522.878290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.878290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.878290 (E_RNA)
where:
Base-Base interactions energy: -371.166
where: short stacking energy: -143.771
Base-Backbone interact. energy: -0.002
local terms energy: -151.710820
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -47.271
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -500.150316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.150316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.150316 (E_RNA)
where:
Base-Base interactions energy: -375.904
where: short stacking energy: -148.879
Base-Backbone interact. energy: -0.039
local terms energy: -124.206899
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -28.662
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -43.461
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: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -392.622239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.622239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.622239 (E_RNA)
where:
Base-Base interactions energy: -278.441
where: short stacking energy: -110.154
Base-Backbone interact. energy: -0.011
local terms energy: -114.170803
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -34.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -325.380363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.380363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.380363 (E_RNA)
where:
Base-Base interactions energy: -220.155
where: short stacking energy: -98.479
Base-Backbone interact. energy: 0.284
local terms energy: -105.508728
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -151.774024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.774024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.774024 (E_RNA)
where:
Base-Base interactions energy: -68.659
where: short stacking energy: -48.071
Base-Backbone interact. energy: 0.110
local terms energy: -83.368455
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.143 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -544.488059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.488059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.488059 (E_RNA)
where:
Base-Base interactions energy: -384.498
where: short stacking energy: -147.867
Base-Backbone interact. energy: -0.054
local terms energy: -159.936257
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -45.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -549.366142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.366142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.366142 (E_RNA)
where:
Base-Base interactions energy: -390.818
where: short stacking energy: -154.734
Base-Backbone interact. energy: -0.002
local terms energy: -158.545915
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -32.323
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -48.068
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: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -531.354626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.354626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.354626 (E_RNA)
where:
Base-Base interactions energy: -381.981
where: short stacking energy: -145.246
Base-Backbone interact. energy: -0.001
local terms energy: -149.373040
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -44.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -533.554772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.554772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.554772 (E_RNA)
where:
Base-Base interactions energy: -381.641
where: short stacking energy: -151.702
Base-Backbone interact. energy: -0.008
local terms energy: -151.905489
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -32.868
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -49.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -516.611582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.611582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.611582 (E_RNA)
where:
Base-Base interactions energy: -375.844
where: short stacking energy: -141.361
Base-Backbone interact. energy: -0.001
local terms energy: -140.766754
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -42.648
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: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -518.871299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.871299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.871299 (E_RNA)
where:
Base-Base interactions energy: -369.510
where: short stacking energy: -145.079
Base-Backbone interact. energy: -0.000
local terms energy: -149.360808
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -45.751
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: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -404.641748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.641748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.641748 (E_RNA)
where:
Base-Base interactions energy: -282.149
where: short stacking energy: -109.762
Base-Backbone interact. energy: 1.014
local terms energy: -123.507503
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -37.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -494.071394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.071394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.071394 (E_RNA)
where:
Base-Base interactions energy: -360.153
where: short stacking energy: -144.154
Base-Backbone interact. energy: -0.018
local terms energy: -133.900182
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -44.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -349.422601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.422601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.422601 (E_RNA)
where:
Base-Base interactions energy: -251.144
where: short stacking energy: -96.117
Base-Backbone interact. energy: -0.253
local terms energy: -98.025991
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -23.368
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: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -112.122550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.122550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.122550 (E_RNA)
where:
Base-Base interactions energy: -43.954
where: short stacking energy: -36.769
Base-Backbone interact. energy: -0.417
local terms energy: -68.292387
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -7.812
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: 0.541 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -546.339275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.339275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.339275 (E_RNA)
where:
Base-Base interactions energy: -385.170
where: short stacking energy: -148.180
Base-Backbone interact. energy: -0.000
local terms energy: -161.168896
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -48.264
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: 141
Temperature: 0.950000
Total energy: -549.560396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.560396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.560396 (E_RNA)
where:
Base-Base interactions energy: -386.519
where: short stacking energy: -149.202
Base-Backbone interact. energy: -0.041
local terms energy: -163.000230
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -48.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -538.747049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.747049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.747049 (E_RNA)
where:
Base-Base interactions energy: -383.781
where: short stacking energy: -148.867
Base-Backbone interact. energy: -0.001
local terms energy: -154.964605
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -46.677
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: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -525.788324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.788324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.788324 (E_RNA)
where:
Base-Base interactions energy: -379.230
where: short stacking energy: -141.430
Base-Backbone interact. energy: -0.252
local terms energy: -146.507824
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -43.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.201 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -516.119178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.119178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.119178 (E_RNA)
where:
Base-Base interactions energy: -376.527
where: short stacking energy: -143.817
Base-Backbone interact. energy: -0.005
local terms energy: -139.586718
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -46.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -506.843626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.843626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.843626 (E_RNA)
where:
Base-Base interactions energy: -364.614
where: short stacking energy: -138.716
Base-Backbone interact. energy: 2.254
local terms energy: -144.483210
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -45.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -451.808922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.808922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.808922 (E_RNA)
where:
Base-Base interactions energy: -309.294
where: short stacking energy: -126.232
Base-Backbone interact. energy: -0.285
local terms energy: -142.229243
where:
bonds (distance) C4'-P energy: -30.294
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -36.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -483.555219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.555219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.555219 (E_RNA)
where:
Base-Base interactions energy: -359.580
where: short stacking energy: -137.404
Base-Backbone interact. energy: -0.024
local terms energy: -123.952011
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -38.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -390.780064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.780064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.780064 (E_RNA)
where:
Base-Base interactions energy: -275.942
where: short stacking energy: -108.303
Base-Backbone interact. energy: -0.203
local terms energy: -114.634562
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -30.157
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: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -118.644572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.644572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.644572 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -33.890
Base-Backbone interact. energy: 0.978
local terms energy: -80.974206
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: 5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -550.139489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.139489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.139489 (E_RNA)
where:
Base-Base interactions energy: -396.995
where: short stacking energy: -157.074
Base-Backbone interact. energy: -0.007
local terms energy: -153.137518
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -47.069
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: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -545.735088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.735088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.735088 (E_RNA)
where:
Base-Base interactions energy: -384.542
where: short stacking energy: -148.828
Base-Backbone interact. energy: -0.280
local terms energy: -161.216471
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -529.680425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.680425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.680425 (E_RNA)
where:
Base-Base interactions energy: -379.169
where: short stacking energy: -148.084
Base-Backbone interact. energy: -0.607
local terms energy: -151.736203
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -45.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.832 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -526.098172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.098172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.098172 (E_RNA)
where:
Base-Base interactions energy: -384.803
where: short stacking energy: -149.219
Base-Backbone interact. energy: -0.401
local terms energy: -140.894101
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -45.846
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: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -507.755004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.755004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.755004 (E_RNA)
where:
Base-Base interactions energy: -368.100
where: short stacking energy: -140.250
Base-Backbone interact. energy: 0.427
local terms energy: -140.081443
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -43.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -504.339705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.339705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.339705 (E_RNA)
where:
Base-Base interactions energy: -360.920
where: short stacking energy: -140.876
Base-Backbone interact. energy: -0.005
local terms energy: -143.415134
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -492.178813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.178813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.178813 (E_RNA)
where:
Base-Base interactions energy: -357.379
where: short stacking energy: -137.598
Base-Backbone interact. energy: -0.104
local terms energy: -134.695178
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -40.808
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: 142
Temperature: 1.250000
Total energy: -440.551691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.551691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.551691 (E_RNA)
where:
Base-Base interactions energy: -320.454
where: short stacking energy: -115.625
Base-Backbone interact. energy: -0.485
local terms energy: -119.612400
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -33.310
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: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -451.792336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.792336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.792336 (E_RNA)
where:
Base-Base interactions energy: -325.190
where: short stacking energy: -123.716
Base-Backbone interact. energy: -0.097
local terms energy: -126.504892
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -37.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -131.439058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.439058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.439058 (E_RNA)
where:
Base-Base interactions energy: -47.307
where: short stacking energy: -43.278
Base-Backbone interact. energy: -0.253
local terms energy: -83.879399
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -539.108266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.108266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.108266 (E_RNA)
where:
Base-Base interactions energy: -384.365
where: short stacking energy: -144.063
Base-Backbone interact. energy: -0.001
local terms energy: -154.742978
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -542.567184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.567184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.567184 (E_RNA)
where:
Base-Base interactions energy: -387.489
where: short stacking energy: -147.193
Base-Backbone interact. energy: -0.122
local terms energy: -154.955930
where:
bonds (distance) C4'-P energy: -26.187
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -47.675
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: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -532.263371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.263371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.263371 (E_RNA)
where:
Base-Base interactions energy: -383.663
where: short stacking energy: -151.346
Base-Backbone interact. energy: -0.001
local terms energy: -148.599477
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -46.465
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: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -526.893007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.893007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.893007 (E_RNA)
where:
Base-Base interactions energy: -377.116
where: short stacking energy: -145.461
Base-Backbone interact. energy: -0.001
local terms energy: -149.775509
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -46.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -515.810317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.810317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.810317 (E_RNA)
where:
Base-Base interactions energy: -374.906
where: short stacking energy: -141.840
Base-Backbone interact. energy: -0.043
local terms energy: -140.861040
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -45.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -487.892917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.892917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.892917 (E_RNA)
where:
Base-Base interactions energy: -353.322
where: short stacking energy: -134.231
Base-Backbone interact. energy: -0.252
local terms energy: -134.319294
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -41.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -511.833310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.833310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.833310 (E_RNA)
where:
Base-Base interactions energy: -357.783
where: short stacking energy: -137.811
Base-Backbone interact. energy: 0.052
local terms energy: -154.102965
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -40.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -466.642826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.642826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.642826 (E_RNA)
where:
Base-Base interactions energy: -339.567
where: short stacking energy: -134.917
Base-Backbone interact. energy: -0.287
local terms energy: -126.788566
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -42.315
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -412.947257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.947257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.947257 (E_RNA)
where:
Base-Base interactions energy: -295.618
where: short stacking energy: -116.150
Base-Backbone interact. energy: 5.731
local terms energy: -123.060342
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -120.078001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.078001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.078001 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.464
local terms energy: -85.075692
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -549.423641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.423641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.423641 (E_RNA)
where:
Base-Base interactions energy: -391.839
where: short stacking energy: -155.824
Base-Backbone interact. energy: -0.006
local terms energy: -157.579020
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -30.512
flat angles C4'-P-C4' energy: -31.794
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -46.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -539.885210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.885210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.885210 (E_RNA)
where:
Base-Base interactions energy: -383.257
where: short stacking energy: -152.574
Base-Backbone interact. energy: -0.001
local terms energy: -156.627295
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -48.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -534.783645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.783645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.783645 (E_RNA)
where:
Base-Base interactions energy: -385.103
where: short stacking energy: -150.122
Base-Backbone interact. energy: -0.001
local terms energy: -149.679507
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -45.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -531.903119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.903119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.903119 (E_RNA)
where:
Base-Base interactions energy: -371.866
where: short stacking energy: -147.689
Base-Backbone interact. energy: -0.001
local terms energy: -160.036785
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -48.022
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: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -516.026676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.026676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.026676 (E_RNA)
where:
Base-Base interactions energy: -371.794
where: short stacking energy: -142.615
Base-Backbone interact. energy: -0.002
local terms energy: -144.230712
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -42.706
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: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -494.129549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.129549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.129549 (E_RNA)
where:
Base-Base interactions energy: -368.406
where: short stacking energy: -135.303
Base-Backbone interact. energy: 0.276
local terms energy: -125.998879
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -38.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -507.209336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.209336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.209336 (E_RNA)
where:
Base-Base interactions energy: -368.823
where: short stacking energy: -145.777
Base-Backbone interact. energy: -0.001
local terms energy: -138.385599
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -44.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -437.675708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.675708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.675708 (E_RNA)
where:
Base-Base interactions energy: -314.351
where: short stacking energy: -125.093
Base-Backbone interact. energy: -0.140
local terms energy: -123.184634
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -38.063
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -380.308741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.308741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.308741 (E_RNA)
where:
Base-Base interactions energy: -266.842
where: short stacking energy: -108.901
Base-Backbone interact. energy: -0.816
local terms energy: -112.650731
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -31.261
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: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -117.863974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.863974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.863974 (E_RNA)
where:
Base-Base interactions energy: -32.569
where: short stacking energy: -30.662
Base-Backbone interact. energy: 0.025
local terms energy: -85.319635
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -554.190394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.190394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.190394 (E_RNA)
where:
Base-Base interactions energy: -398.719
where: short stacking energy: -154.636
Base-Backbone interact. energy: -0.001
local terms energy: -155.901896
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -47.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.431 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -539.260445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.260445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.260445 (E_RNA)
where:
Base-Base interactions energy: -375.005
where: short stacking energy: -147.512
Base-Backbone interact. energy: -0.001
local terms energy: -164.254301
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -45.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -523.128329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.128329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.128329 (E_RNA)
where:
Base-Base interactions energy: -384.284
where: short stacking energy: -149.764
Base-Backbone interact. energy: -0.001
local terms energy: -139.124787
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -46.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.281 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -536.887161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.887161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.887161 (E_RNA)
where:
Base-Base interactions energy: -380.012
where: short stacking energy: -148.725
Base-Backbone interact. energy: 1.282
local terms energy: -158.470801
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -30.577
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -25.882
tors. eta vs tors. theta energy: -47.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.314 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -520.348881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.348881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.348881 (E_RNA)
where:
Base-Base interactions energy: -376.017
where: short stacking energy: -147.579
Base-Backbone interact. energy: -0.001
local terms energy: -144.330196
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: -47.032
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: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -504.901987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.901987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.901987 (E_RNA)
where:
Base-Base interactions energy: -371.465
where: short stacking energy: -144.983
Base-Backbone interact. energy: -0.215
local terms energy: -133.221733
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -47.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -485.901636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.901636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.901636 (E_RNA)
where:
Base-Base interactions energy: -355.857
where: short stacking energy: -135.301
Base-Backbone interact. energy: -0.166
local terms energy: -129.878574
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -43.712
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: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -445.233900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.233900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.233900 (E_RNA)
where:
Base-Base interactions energy: -317.968
where: short stacking energy: -129.734
Base-Backbone interact. energy: -0.126
local terms energy: -127.139905
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -35.401
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: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -393.433787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.433787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.433787 (E_RNA)
where:
Base-Base interactions energy: -268.767
where: short stacking energy: -103.736
Base-Backbone interact. energy: -0.252
local terms energy: -124.415096
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -25.758
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -33.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -125.959015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.959015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.959015 (E_RNA)
where:
Base-Base interactions energy: -47.748
where: short stacking energy: -30.648
Base-Backbone interact. energy: -1.035
local terms energy: -77.175812
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -550.100624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.100624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.100624 (E_RNA)
where:
Base-Base interactions energy: -388.913
where: short stacking energy: -155.907
Base-Backbone interact. energy: -0.003
local terms energy: -161.184845
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -49.031
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: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -542.178995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.178995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.178995 (E_RNA)
where:
Base-Base interactions energy: -387.462
where: short stacking energy: -146.776
Base-Backbone interact. energy: -0.212
local terms energy: -154.504671
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -46.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -533.765090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.765090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.765090 (E_RNA)
where:
Base-Base interactions energy: -381.598
where: short stacking energy: -153.237
Base-Backbone interact. energy: -0.005
local terms energy: -152.161750
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -47.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -520.255546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.255546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.255546 (E_RNA)
where:
Base-Base interactions energy: -375.471
where: short stacking energy: -145.344
Base-Backbone interact. energy: -0.004
local terms energy: -144.780089
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -28.892
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -44.560
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: 146
Temperature: 1.100000
Total energy: -520.511693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.511693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.511693 (E_RNA)
where:
Base-Base interactions energy: -373.149
where: short stacking energy: -143.816
Base-Backbone interact. energy: -0.297
local terms energy: -147.065640
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -45.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -488.979285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.979285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.979285 (E_RNA)
where:
Base-Base interactions energy: -357.644
where: short stacking energy: -138.259
Base-Backbone interact. energy: -0.003
local terms energy: -131.536914
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -17.985
tors. eta vs tors. theta energy: -39.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.205 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -490.555855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.555855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.555855 (E_RNA)
where:
Base-Base interactions energy: -368.506
where: short stacking energy: -142.941
Base-Backbone interact. energy: -0.001
local terms energy: -122.048850
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -43.081
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: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -418.875639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.875639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.875639 (E_RNA)
where:
Base-Base interactions energy: -292.930
where: short stacking energy: -108.637
Base-Backbone interact. energy: -0.094
local terms energy: -125.851744
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -34.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -434.205041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.205041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.205041 (E_RNA)
where:
Base-Base interactions energy: -304.478
where: short stacking energy: -117.880
Base-Backbone interact. energy: -0.159
local terms energy: -129.567664
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -35.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -136.763076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.763076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.763076 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -39.565
Base-Backbone interact. energy: 0.810
local terms energy: -89.297063
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: 4.960
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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -551.228726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.228726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.228726 (E_RNA)
where:
Base-Base interactions energy: -390.387
where: short stacking energy: -155.449
Base-Backbone interact. energy: -0.593
local terms energy: -160.248234
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -545.566736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.566736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.566736 (E_RNA)
where:
Base-Base interactions energy: -389.398
where: short stacking energy: -149.323
Base-Backbone interact. energy: -0.003
local terms energy: -156.165473
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -46.818
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: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -541.227246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.227246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.227246 (E_RNA)
where:
Base-Base interactions energy: -389.194
where: short stacking energy: -148.903
Base-Backbone interact. energy: -0.004
local terms energy: -152.028889
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -30.229
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -21.788
tors. eta vs tors. theta energy: -47.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -515.026625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.026625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.026625 (E_RNA)
where:
Base-Base interactions energy: -372.064
where: short stacking energy: -143.693
Base-Backbone interact. energy: -0.014
local terms energy: -142.948967
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -43.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -497.593298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.593298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.593298 (E_RNA)
where:
Base-Base interactions energy: -356.367
where: short stacking energy: -138.964
Base-Backbone interact. energy: -0.047
local terms energy: -141.179695
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -41.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -504.971620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.971620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.971620 (E_RNA)
where:
Base-Base interactions energy: -359.073
where: short stacking energy: -137.138
Base-Backbone interact. energy: -0.003
local terms energy: -145.895101
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -29.045
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -41.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -437.250023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.250023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.250023 (E_RNA)
where:
Base-Base interactions energy: -310.916
where: short stacking energy: -122.630
Base-Backbone interact. energy: -0.007
local terms energy: -126.327490
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -28.406
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -35.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -436.922952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.922952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.922952 (E_RNA)
where:
Base-Base interactions energy: -307.125
where: short stacking energy: -111.069
Base-Backbone interact. energy: -0.315
local terms energy: -129.483565
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -35.496
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: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -421.841124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.841124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.841124 (E_RNA)
where:
Base-Base interactions energy: -290.061
where: short stacking energy: -116.136
Base-Backbone interact. energy: -0.158
local terms energy: -131.622613
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -31.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -124.581762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.581762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.581762 (E_RNA)
where:
Base-Base interactions energy: -40.647
where: short stacking energy: -39.585
Base-Backbone interact. energy: -0.414
local terms energy: -83.519985
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -10.683
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: 148
Temperature: 0.900000
Total energy: -542.555451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.555451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.555451 (E_RNA)
where:
Base-Base interactions energy: -385.594
where: short stacking energy: -152.399
Base-Backbone interact. energy: -0.001
local terms energy: -156.961106
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -48.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -547.309752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.309752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.309752 (E_RNA)
where:
Base-Base interactions energy: -394.199
where: short stacking energy: -149.878
Base-Backbone interact. energy: -0.001
local terms energy: -153.109756
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -47.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -536.860203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.860203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.860203 (E_RNA)
where:
Base-Base interactions energy: -386.085
where: short stacking energy: -152.082
Base-Backbone interact. energy: -0.001
local terms energy: -150.774625
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -44.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -529.519913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.519913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.519913 (E_RNA)
where:
Base-Base interactions energy: -380.401
where: short stacking energy: -145.394
Base-Backbone interact. energy: -0.243
local terms energy: -148.875715
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -33.120
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -47.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -496.876332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.876332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.876332 (E_RNA)
where:
Base-Base interactions energy: -360.318
where: short stacking energy: -141.340
Base-Backbone interact. energy: -0.141
local terms energy: -136.417145
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -42.106
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: 148
Temperature: 1.150000
Total energy: -512.967115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.967115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.967115 (E_RNA)
where:
Base-Base interactions energy: -373.476
where: short stacking energy: -141.218
Base-Backbone interact. energy: -0.046
local terms energy: -139.444713
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -45.307
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: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -479.450902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.450902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.450902 (E_RNA)
where:
Base-Base interactions energy: -348.661
where: short stacking energy: -128.588
Base-Backbone interact. energy: -0.006
local terms energy: -130.783509
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -42.187
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: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -451.653245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.653245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.653245 (E_RNA)
where:
Base-Base interactions energy: -331.397
where: short stacking energy: -127.294
Base-Backbone interact. energy: -0.001
local terms energy: -120.255708
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -37.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -406.385370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.385370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.385370 (E_RNA)
where:
Base-Base interactions energy: -289.850
where: short stacking energy: -114.661
Base-Backbone interact. energy: -0.217
local terms energy: -116.318531
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -29.468
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -115.361806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.361806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.361806 (E_RNA)
where:
Base-Base interactions energy: -42.573
where: short stacking energy: -32.514
Base-Backbone interact. energy: -1.936
local terms energy: -70.936116
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.084 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -551.724789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.724789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.724789 (E_RNA)
where:
Base-Base interactions energy: -392.716
where: short stacking energy: -152.837
Base-Backbone interact. energy: -0.000
local terms energy: -159.008506
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -49.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -549.436327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.436327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.436327 (E_RNA)
where:
Base-Base interactions energy: -388.309
where: short stacking energy: -154.257
Base-Backbone interact. energy: -0.002
local terms energy: -161.124739
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -31.541
flat angles C4'-P-C4' energy: -30.286
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -48.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -529.113063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.113063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.113063 (E_RNA)
where:
Base-Base interactions energy: -381.948
where: short stacking energy: -138.721
Base-Backbone interact. energy: -0.016
local terms energy: -147.148376
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -43.145
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: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -499.129952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.129952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.129952 (E_RNA)
where:
Base-Base interactions energy: -362.430
where: short stacking energy: -136.823
Base-Backbone interact. energy: -0.009
local terms energy: -136.691048
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -42.582
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: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -506.391783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.391783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.391783 (E_RNA)
where:
Base-Base interactions energy: -367.195
where: short stacking energy: -140.442
Base-Backbone interact. energy: -0.004
local terms energy: -139.192461
where:
bonds (distance) C4'-P energy: -29.783
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -41.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -492.775297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.775297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.775297 (E_RNA)
where:
Base-Base interactions energy: -359.608
where: short stacking energy: -140.353
Base-Backbone interact. energy: -0.021
local terms energy: -133.146910
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -43.187
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: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -503.427309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.427309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.427309 (E_RNA)
where:
Base-Base interactions energy: -370.742
where: short stacking energy: -142.348
Base-Backbone interact. energy: -0.002
local terms energy: -132.683381
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -43.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -454.956114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.956114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.956114 (E_RNA)
where:
Base-Base interactions energy: -330.867
where: short stacking energy: -126.314
Base-Backbone interact. energy: 0.166
local terms energy: -124.255415
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -32.995
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: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -440.135145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.135145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.135145 (E_RNA)
where:
Base-Base interactions energy: -314.297
where: short stacking energy: -124.112
Base-Backbone interact. energy: -0.162
local terms energy: -125.676098
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -26.974
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -36.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -112.534968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.534968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.534968 (E_RNA)
where:
Base-Base interactions energy: -45.751
where: short stacking energy: -32.850
Base-Backbone interact. energy: -0.531
local terms energy: -66.253103
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: 6.512
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: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -554.280062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.280062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.280062 (E_RNA)
where:
Base-Base interactions energy: -392.954
where: short stacking energy: -156.089
Base-Backbone interact. energy: -0.280
local terms energy: -161.046784
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -49.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -546.297681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.297681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.297681 (E_RNA)
where:
Base-Base interactions energy: -394.730
where: short stacking energy: -152.320
Base-Backbone interact. energy: -0.002
local terms energy: -151.564920
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -47.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -525.782369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.782369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.782369 (E_RNA)
where:
Base-Base interactions energy: -384.860
where: short stacking energy: -144.117
Base-Backbone interact. energy: -0.009
local terms energy: -140.913999
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -28.400
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -44.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -516.146525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.146525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.146525 (E_RNA)
where:
Base-Base interactions energy: -378.645
where: short stacking energy: -141.459
Base-Backbone interact. energy: -0.002
local terms energy: -138.029958
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -45.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.531 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -513.163627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.163627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.163627 (E_RNA)
where:
Base-Base interactions energy: -372.504
where: short stacking energy: -148.149
Base-Backbone interact. energy: -0.014
local terms energy: -140.645827
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -495.329719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.329719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.329719 (E_RNA)
where:
Base-Base interactions energy: -355.959
where: short stacking energy: -137.330
Base-Backbone interact. energy: -0.168
local terms energy: -139.202869
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -42.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -494.477957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.477957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.477957 (E_RNA)
where:
Base-Base interactions energy: -352.191
where: short stacking energy: -137.225
Base-Backbone interact. energy: -0.175
local terms energy: -142.111769
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -46.193
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: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -462.668681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.668681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.668681 (E_RNA)
where:
Base-Base interactions energy: -332.487
where: short stacking energy: -130.492
Base-Backbone interact. energy: 0.183
local terms energy: -130.364632
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -39.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -463.404606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.404606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.404606 (E_RNA)
where:
Base-Base interactions energy: -338.018
where: short stacking energy: -123.075
Base-Backbone interact. energy: 0.212
local terms energy: -126.122402
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -38.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.524 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -116.062784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.062784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.062784 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -24.834
Base-Backbone interact. energy: 2.376
local terms energy: -80.567390
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -548.987904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.987904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.987904 (E_RNA)
where:
Base-Base interactions energy: -392.696
where: short stacking energy: -151.097
Base-Backbone interact. energy: -0.157
local terms energy: -156.135565
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -47.664
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: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -537.277021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.277021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.277021 (E_RNA)
where:
Base-Base interactions energy: -388.472
where: short stacking energy: -155.120
Base-Backbone interact. energy: -0.251
local terms energy: -148.554030
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -45.446
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: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -537.613637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.613637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.613637 (E_RNA)
where:
Base-Base interactions energy: -389.497
where: short stacking energy: -146.206
Base-Backbone interact. energy: -0.042
local terms energy: -148.755407
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -44.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.681 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -515.499679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.499679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.499679 (E_RNA)
where:
Base-Base interactions energy: -375.372
where: short stacking energy: -145.462
Base-Backbone interact. energy: -0.100
local terms energy: -140.027434
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -47.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -514.862907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.862907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.862907 (E_RNA)
where:
Base-Base interactions energy: -371.024
where: short stacking energy: -141.094
Base-Backbone interact. energy: -0.218
local terms energy: -143.620751
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -28.211
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -44.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -509.608484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.608484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.608484 (E_RNA)
where:
Base-Base interactions energy: -374.151
where: short stacking energy: -145.986
Base-Backbone interact. energy: -0.001
local terms energy: -136.484627
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -42.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.029 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -488.992801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.992801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.992801 (E_RNA)
where:
Base-Base interactions energy: -350.150
where: short stacking energy: -134.350
Base-Backbone interact. energy: 0.550
local terms energy: -139.392045
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -30.396
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -45.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -463.282677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.282677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.282677 (E_RNA)
where:
Base-Base interactions energy: -335.921
where: short stacking energy: -124.793
Base-Backbone interact. energy: -0.378
local terms energy: -126.983810
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -39.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -476.804904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.804904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.804904 (E_RNA)
where:
Base-Base interactions energy: -354.374
where: short stacking energy: -131.225
Base-Backbone interact. energy: -0.012
local terms energy: -122.418545
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -40.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -113.576552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.576552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.576552 (E_RNA)
where:
Base-Base interactions energy: -35.866
where: short stacking energy: -35.712
Base-Backbone interact. energy: 2.383
local terms energy: -80.093519
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: 0.705
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: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -545.165234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.165234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.165234 (E_RNA)
where:
Base-Base interactions energy: -384.877
where: short stacking energy: -150.467
Base-Backbone interact. energy: -0.219
local terms energy: -160.068540
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -536.387139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.387139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.387139 (E_RNA)
where:
Base-Base interactions energy: -385.162
where: short stacking energy: -146.023
Base-Backbone interact. energy: -0.152
local terms energy: -151.072746
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -43.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -545.002120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.002120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.002120 (E_RNA)
where:
Base-Base interactions energy: -393.052
where: short stacking energy: -151.607
Base-Backbone interact. energy: -0.002
local terms energy: -152.257397
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -45.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.310 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -523.060873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.060873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.060873 (E_RNA)
where:
Base-Base interactions energy: -377.899
where: short stacking energy: -144.713
Base-Backbone interact. energy: -0.004
local terms energy: -145.157958
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -46.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -515.877542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.877542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.877542 (E_RNA)
where:
Base-Base interactions energy: -368.763
where: short stacking energy: -142.720
Base-Backbone interact. energy: -0.009
local terms energy: -147.586593
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -46.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.482 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -520.551711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.551711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.551711 (E_RNA)
where:
Base-Base interactions energy: -376.936
where: short stacking energy: -148.355
Base-Backbone interact. energy: -0.004
local terms energy: -143.611670
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -46.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -502.829065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.829065 (E_RNA)
where:
Base-Base interactions energy: -367.450
where: short stacking energy: -136.705
Base-Backbone interact. energy: -0.004
local terms energy: -135.375331
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -46.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -443.673884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.673884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.673884 (E_RNA)
where:
Base-Base interactions energy: -322.178
where: short stacking energy: -123.859
Base-Backbone interact. energy: -0.031
local terms energy: -121.464801
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -43.438
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: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -481.302044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.302044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.302044 (E_RNA)
where:
Base-Base interactions energy: -346.253
where: short stacking energy: -131.767
Base-Backbone interact. energy: -0.060
local terms energy: -134.988822
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -41.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -110.540291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.540291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.540291 (E_RNA)
where:
Base-Base interactions energy: -34.913
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.722
local terms energy: -74.905614
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -1.455
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: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -546.490021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.490021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.490021 (E_RNA)
where:
Base-Base interactions energy: -392.935
where: short stacking energy: -151.567
Base-Backbone interact. energy: -0.041
local terms energy: -153.513418
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -46.664
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: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -553.763291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.763291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.763291 (E_RNA)
where:
Base-Base interactions energy: -401.484
where: short stacking energy: -157.780
Base-Backbone interact. energy: -0.001
local terms energy: -152.278518
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -45.035
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: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -535.876649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.876649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.876649 (E_RNA)
where:
Base-Base interactions energy: -376.144
where: short stacking energy: -146.671
Base-Backbone interact. energy: -0.293
local terms energy: -159.440064
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -514.820722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.820722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.820722 (E_RNA)
where:
Base-Base interactions energy: -374.014
where: short stacking energy: -144.124
Base-Backbone interact. energy: -0.001
local terms energy: -140.806017
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -42.545
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -506.908540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.908540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.908540 (E_RNA)
where:
Base-Base interactions energy: -356.261
where: short stacking energy: -137.364
Base-Backbone interact. energy: -0.123
local terms energy: -151.561511
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.038 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -489.914672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.914672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.914672 (E_RNA)
where:
Base-Base interactions energy: -352.415
where: short stacking energy: -131.870
Base-Backbone interact. energy: 0.161
local terms energy: -137.660680
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -42.461
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: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -491.416015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.416015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.416015 (E_RNA)
where:
Base-Base interactions energy: -352.575
where: short stacking energy: -134.219
Base-Backbone interact. energy: -0.214
local terms energy: -138.626526
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -40.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -486.295311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.295311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.295311 (E_RNA)
where:
Base-Base interactions energy: -351.864
where: short stacking energy: -133.925
Base-Backbone interact. energy: 0.203
local terms energy: -134.634105
where:
bonds (distance) C4'-P energy: -26.759
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -39.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -432.407068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.407068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.407068 (E_RNA)
where:
Base-Base interactions energy: -306.716
where: short stacking energy: -120.234
Base-Backbone interact. energy: -0.114
local terms energy: -125.577134
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -36.920
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: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -120.271262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.271262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.271262 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -26.752
Base-Backbone interact. energy: -0.095
local terms energy: -90.383845
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -15.450
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: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -543.362852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.362852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.362852 (E_RNA)
where:
Base-Base interactions energy: -389.328
where: short stacking energy: -151.466
Base-Backbone interact. energy: -0.001
local terms energy: -154.033204
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -30.003
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -47.283
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: 154
Temperature: 0.950000
Total energy: -538.740436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.740436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.740436 (E_RNA)
where:
Base-Base interactions energy: -386.739
where: short stacking energy: -151.589
Base-Backbone interact. energy: -0.011
local terms energy: -151.990795
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -47.165
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: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -513.566175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.566175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.566175 (E_RNA)
where:
Base-Base interactions energy: -370.224
where: short stacking energy: -137.364
Base-Backbone interact. energy: -0.007
local terms energy: -143.335199
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -41.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -523.195015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.195015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.195015 (E_RNA)
where:
Base-Base interactions energy: -377.867
where: short stacking energy: -143.013
Base-Backbone interact. energy: -0.047
local terms energy: -145.281486
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -48.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -506.358342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.358342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.358342 (E_RNA)
where:
Base-Base interactions energy: -366.228
where: short stacking energy: -141.378
Base-Backbone interact. energy: -0.009
local terms energy: -140.121434
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -42.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -507.528325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.528325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.528325 (E_RNA)
where:
Base-Base interactions energy: -358.596
where: short stacking energy: -138.764
Base-Backbone interact. energy: -0.000
local terms energy: -148.931548
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -45.290
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: 154
Temperature: 1.200000
Total energy: -490.055042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.055042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.055042 (E_RNA)
where:
Base-Base interactions energy: -348.194
where: short stacking energy: -130.072
Base-Backbone interact. energy: -0.000
local terms energy: -141.860703
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -495.855843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.855843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.855843 (E_RNA)
where:
Base-Base interactions energy: -372.732
where: short stacking energy: -147.022
Base-Backbone interact. energy: -0.043
local terms energy: -123.258365
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -44.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.178 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -426.016462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.016462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.016462 (E_RNA)
where:
Base-Base interactions energy: -297.206
where: short stacking energy: -109.155
Base-Backbone interact. energy: 0.075
local terms energy: -129.853934
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -32.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.969 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -119.787360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.787360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.787360 (E_RNA)
where:
Base-Base interactions energy: -45.189
where: short stacking energy: -29.404
Base-Backbone interact. energy: 0.118
local terms energy: -75.289496
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -7.607
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: 0.573 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -550.254545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.254545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.254545 (E_RNA)
where:
Base-Base interactions energy: -394.785
where: short stacking energy: -150.947
Base-Backbone interact. energy: -0.131
local terms energy: -155.338570
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -28.710
flat angles C4'-P-C4' energy: -32.701
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -46.009
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: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -529.207991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.207991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.207991 (E_RNA)
where:
Base-Base interactions energy: -374.316
where: short stacking energy: -144.510
Base-Backbone interact. energy: -0.011
local terms energy: -154.881142
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -44.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -532.338210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.338210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.338210 (E_RNA)
where:
Base-Base interactions energy: -384.393
where: short stacking energy: -153.065
Base-Backbone interact. energy: -0.003
local terms energy: -147.942152
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -48.550
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: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -515.520159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.520159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.520159 (E_RNA)
where:
Base-Base interactions energy: -371.852
where: short stacking energy: -145.607
Base-Backbone interact. energy: -0.309
local terms energy: -143.359045
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -44.569
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: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -511.528262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.528262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.528262 (E_RNA)
where:
Base-Base interactions energy: -378.248
where: short stacking energy: -147.499
Base-Backbone interact. energy: -0.002
local terms energy: -133.277904
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -25.426
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -513.316674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.316674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.316674 (E_RNA)
where:
Base-Base interactions energy: -355.299
where: short stacking energy: -136.976
Base-Backbone interact. energy: -0.413
local terms energy: -157.604269
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -45.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -492.544614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.544614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.544614 (E_RNA)
where:
Base-Base interactions energy: -364.028
where: short stacking energy: -137.275
Base-Backbone interact. energy: 0.773
local terms energy: -129.289859
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -43.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -490.044412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.044412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.044412 (E_RNA)
where:
Base-Base interactions energy: -351.017
where: short stacking energy: -129.371
Base-Backbone interact. energy: -0.000
local terms energy: -139.027672
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -46.074
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: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -414.231712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.231712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.231712 (E_RNA)
where:
Base-Base interactions energy: -288.076
where: short stacking energy: -116.871
Base-Backbone interact. energy: 0.165
local terms energy: -126.320143
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -33.922
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: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -160.040944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.040944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.040944 (E_RNA)
where:
Base-Base interactions energy: -90.127
where: short stacking energy: -38.760
Base-Backbone interact. energy: 2.612
local terms energy: -72.525796
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -548.131112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.131112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.131112 (E_RNA)
where:
Base-Base interactions energy: -394.717
where: short stacking energy: -154.499
Base-Backbone interact. energy: -0.044
local terms energy: -153.370120
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -47.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -537.841638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.841638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.841638 (E_RNA)
where:
Base-Base interactions energy: -381.547
where: short stacking energy: -148.623
Base-Backbone interact. energy: -0.066
local terms energy: -156.229525
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -26.816
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -45.688
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: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -535.324913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.324913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.324913 (E_RNA)
where:
Base-Base interactions energy: -382.585
where: short stacking energy: -151.743
Base-Backbone interact. energy: -0.281
local terms energy: -152.841955
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -30.771
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -517.324516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.324516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.324516 (E_RNA)
where:
Base-Base interactions energy: -374.044
where: short stacking energy: -145.492
Base-Backbone interact. energy: -0.113
local terms energy: -143.167278
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -45.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -527.343369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.343369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.343369 (E_RNA)
where:
Base-Base interactions energy: -378.350
where: short stacking energy: -144.935
Base-Backbone interact. energy: -0.641
local terms energy: -149.498196
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -18.796
tors. eta vs tors. theta energy: -45.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.146 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -517.286542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.286542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.286542 (E_RNA)
where:
Base-Base interactions energy: -371.428
where: short stacking energy: -147.040
Base-Backbone interact. energy: -0.019
local terms energy: -145.839187
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -44.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -497.138699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.138699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.138699 (E_RNA)
where:
Base-Base interactions energy: -367.721
where: short stacking energy: -133.391
Base-Backbone interact. energy: -0.002
local terms energy: -129.415780
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -46.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -486.084954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.084954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.084954 (E_RNA)
where:
Base-Base interactions energy: -356.586
where: short stacking energy: -136.851
Base-Backbone interact. energy: -0.011
local terms energy: -129.487901
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -28.173
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -44.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -425.129043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.129043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.129043 (E_RNA)
where:
Base-Base interactions energy: -304.848
where: short stacking energy: -129.948
Base-Backbone interact. energy: 1.777
local terms energy: -122.057226
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -36.514
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: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -120.053113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.053113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.053113 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -32.661
Base-Backbone interact. energy: -0.920
local terms energy: -81.478033
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -18.274
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: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -544.572133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.572133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.572133 (E_RNA)
where:
Base-Base interactions energy: -390.244
where: short stacking energy: -149.505
Base-Backbone interact. energy: -0.002
local terms energy: -154.325857
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -45.814
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: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -528.972939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.972939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.972939 (E_RNA)
where:
Base-Base interactions energy: -385.124
where: short stacking energy: -151.873
Base-Backbone interact. energy: -0.041
local terms energy: -143.807239
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -44.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -529.398078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.398078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.398078 (E_RNA)
where:
Base-Base interactions energy: -384.208
where: short stacking energy: -142.660
Base-Backbone interact. energy: -0.016
local terms energy: -145.173227
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -44.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -524.390401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.390401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.390401 (E_RNA)
where:
Base-Base interactions energy: -385.445
where: short stacking energy: -151.953
Base-Backbone interact. energy: -0.001
local terms energy: -139.486156
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -21.367
tors. eta vs tors. theta energy: -46.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.542 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -510.506242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.506242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.506242 (E_RNA)
where:
Base-Base interactions energy: -377.622
where: short stacking energy: -147.964
Base-Backbone interact. energy: -0.316
local terms energy: -132.568620
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -45.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -505.922411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.922411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.922411 (E_RNA)
where:
Base-Base interactions energy: -357.524
where: short stacking energy: -133.794
Base-Backbone interact. energy: -0.585
local terms energy: -147.812613
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -42.817
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: 157
Temperature: 1.200000
Total energy: -450.515317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.515317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.515317 (E_RNA)
where:
Base-Base interactions energy: -314.406
where: short stacking energy: -121.141
Base-Backbone interact. energy: -0.008
local terms energy: -136.101200
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -38.904
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: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -487.306276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.306276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.306276 (E_RNA)
where:
Base-Base interactions energy: -359.048
where: short stacking energy: -137.005
Base-Backbone interact. energy: -0.043
local terms energy: -128.215250
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -42.051
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: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -410.272596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.272596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.272596 (E_RNA)
where:
Base-Base interactions energy: -288.479
where: short stacking energy: -113.976
Base-Backbone interact. energy: -0.030
local terms energy: -121.763291
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -34.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -132.869874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.869874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.869874 (E_RNA)
where:
Base-Base interactions energy: -62.177
where: short stacking energy: -41.905
Base-Backbone interact. energy: 1.008
local terms energy: -71.700322
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -544.801798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.801798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.801798 (E_RNA)
where:
Base-Base interactions energy: -387.444
where: short stacking energy: -144.636
Base-Backbone interact. energy: -0.001
local terms energy: -157.508232
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: -46.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.152 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -536.714345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.714345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.714345 (E_RNA)
where:
Base-Base interactions energy: -381.066
where: short stacking energy: -147.571
Base-Backbone interact. energy: -0.016
local terms energy: -155.632362
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -47.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -518.982209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.982209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.982209 (E_RNA)
where:
Base-Base interactions energy: -370.676
where: short stacking energy: -139.013
Base-Backbone interact. energy: -0.112
local terms energy: -148.193974
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -33.762
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -45.094
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: 158
Temperature: 1.050000
Total energy: -509.534740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.534740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.534740 (E_RNA)
where:
Base-Base interactions energy: -379.528
where: short stacking energy: -144.182
Base-Backbone interact. energy: -0.005
local terms energy: -130.001016
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -42.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -505.640508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.640508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.640508 (E_RNA)
where:
Base-Base interactions energy: -362.048
where: short stacking energy: -141.553
Base-Backbone interact. energy: -0.001
local terms energy: -144.524609
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -43.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.933 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -508.033336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.033336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.033336 (E_RNA)
where:
Base-Base interactions energy: -377.896
where: short stacking energy: -144.790
Base-Backbone interact. energy: -0.653
local terms energy: -129.485073
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -46.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -514.493950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.493950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.493950 (E_RNA)
where:
Base-Base interactions energy: -371.489
where: short stacking energy: -144.077
Base-Backbone interact. energy: -0.239
local terms energy: -142.766322
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -43.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -431.929285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.929285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.929285 (E_RNA)
where:
Base-Base interactions energy: -304.246
where: short stacking energy: -118.957
Base-Backbone interact. energy: -0.135
local terms energy: -127.547643
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -38.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -392.621126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.621126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.621126 (E_RNA)
where:
Base-Base interactions energy: -268.105
where: short stacking energy: -109.060
Base-Backbone interact. energy: -0.025
local terms energy: -124.490965
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -30.027
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: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -117.865979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.865979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.865979 (E_RNA)
where:
Base-Base interactions energy: -45.576
where: short stacking energy: -36.337
Base-Backbone interact. energy: 1.314
local terms energy: -73.603404
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -13.082
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: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -546.016500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.016500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.016500 (E_RNA)
where:
Base-Base interactions energy: -395.047
where: short stacking energy: -154.578
Base-Backbone interact. energy: -0.003
local terms energy: -150.966112
where:
bonds (distance) C4'-P energy: -27.077
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -47.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -530.018945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.018945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.018945 (E_RNA)
where:
Base-Base interactions energy: -378.590
where: short stacking energy: -141.647
Base-Backbone interact. energy: -0.002
local terms energy: -151.427099
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -44.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -534.165934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.165934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.165934 (E_RNA)
where:
Base-Base interactions energy: -382.719
where: short stacking energy: -142.800
Base-Backbone interact. energy: -0.000
local terms energy: -151.941977
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -45.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.495 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -522.300526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.300526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.300526 (E_RNA)
where:
Base-Base interactions energy: -383.485
where: short stacking energy: -148.413
Base-Backbone interact. energy: -0.157
local terms energy: -142.328942
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -46.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.671 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -506.509818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.509818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.509818 (E_RNA)
where:
Base-Base interactions energy: -368.578
where: short stacking energy: -143.050
Base-Backbone interact. energy: -0.012
local terms energy: -137.920000
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -45.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -513.271337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.271337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.271337 (E_RNA)
where:
Base-Base interactions energy: -370.380
where: short stacking energy: -144.213
Base-Backbone interact. energy: -0.002
local terms energy: -142.889043
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -44.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -502.240193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.240193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.240193 (E_RNA)
where:
Base-Base interactions energy: -367.387
where: short stacking energy: -134.728
Base-Backbone interact. energy: -0.001
local terms energy: -134.852685
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -45.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -415.879331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.879331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.879331 (E_RNA)
where:
Base-Base interactions energy: -299.366
where: short stacking energy: -112.257
Base-Backbone interact. energy: -0.837
local terms energy: -115.676353
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -31.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -347.164029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.164029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.164029 (E_RNA)
where:
Base-Base interactions energy: -231.447
where: short stacking energy: -90.475
Base-Backbone interact. energy: -0.844
local terms energy: -114.873244
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -31.318
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -125.016521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.016521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.016521 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -36.442
Base-Backbone interact. energy: 0.073
local terms energy: -86.861408
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -8.617
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: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -552.100859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.100859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.100859 (E_RNA)
where:
Base-Base interactions energy: -388.641
where: short stacking energy: -154.798
Base-Backbone interact. energy: -0.002
local terms energy: -163.458044
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -26.570
tors. eta vs tors. theta energy: -48.097
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: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -523.952825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.952825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.952825 (E_RNA)
where:
Base-Base interactions energy: -376.473
where: short stacking energy: -146.911
Base-Backbone interact. energy: -0.175
local terms energy: -147.304748
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -536.135849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.135849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.135849 (E_RNA)
where:
Base-Base interactions energy: -387.242
where: short stacking energy: -149.108
Base-Backbone interact. energy: -0.016
local terms energy: -148.906139
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -525.276295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.276295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.276295 (E_RNA)
where:
Base-Base interactions energy: -376.709
where: short stacking energy: -145.858
Base-Backbone interact. energy: -0.008
local terms energy: -149.110730
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -44.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.551 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -517.395696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.395696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.395696 (E_RNA)
where:
Base-Base interactions energy: -379.428
where: short stacking energy: -142.013
Base-Backbone interact. energy: -0.001
local terms energy: -137.966858
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -47.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -500.932364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.932364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.932364 (E_RNA)
where:
Base-Base interactions energy: -358.486
where: short stacking energy: -137.751
Base-Backbone interact. energy: -0.330
local terms energy: -142.115875
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -28.100
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -41.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -496.231771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.231771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.231771 (E_RNA)
where:
Base-Base interactions energy: -364.218
where: short stacking energy: -141.174
Base-Backbone interact. energy: -0.002
local terms energy: -132.011392
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -43.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -418.252232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.252232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.252232 (E_RNA)
where:
Base-Base interactions energy: -289.889
where: short stacking energy: -105.946
Base-Backbone interact. energy: -0.201
local terms energy: -128.162847
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -32.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -383.482152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.482152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.482152 (E_RNA)
where:
Base-Base interactions energy: -269.524
where: short stacking energy: -104.947
Base-Backbone interact. energy: -0.381
local terms energy: -113.577375
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -30.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -151.102088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.102088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.102088 (E_RNA)
where:
Base-Base interactions energy: -71.164
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.336
local terms energy: -79.601890
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -13.411
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: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -542.677000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.677000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.677000 (E_RNA)
where:
Base-Base interactions energy: -390.390
where: short stacking energy: -152.155
Base-Backbone interact. energy: -0.002
local terms energy: -152.284807
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -46.527
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: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -545.962245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.962245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.962245 (E_RNA)
where:
Base-Base interactions energy: -389.712
where: short stacking energy: -149.449
Base-Backbone interact. energy: -0.157
local terms energy: -157.627974
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -30.819
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.535 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -512.098358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.098358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.098358 (E_RNA)
where:
Base-Base interactions energy: -369.053
where: short stacking energy: -147.902
Base-Backbone interact. energy: -0.156
local terms energy: -142.889035
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -28.779
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -45.138
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: 161
Temperature: 1.050000
Total energy: -538.231100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.231100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.231100 (E_RNA)
where:
Base-Base interactions energy: -382.344
where: short stacking energy: -148.710
Base-Backbone interact. energy: -0.588
local terms energy: -155.299165
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -49.125
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: 161
Temperature: 1.100000
Total energy: -518.292172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.292172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.292172 (E_RNA)
where:
Base-Base interactions energy: -379.260
where: short stacking energy: -148.250
Base-Backbone interact. energy: -0.001
local terms energy: -140.330044
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.298 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -507.799165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.799165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.799165 (E_RNA)
where:
Base-Base interactions energy: -359.589
where: short stacking energy: -141.465
Base-Backbone interact. energy: -0.001
local terms energy: -148.209419
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -41.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -491.496329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.496329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.496329 (E_RNA)
where:
Base-Base interactions energy: -362.191
where: short stacking energy: -133.018
Base-Backbone interact. energy: -0.040
local terms energy: -129.265688
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -42.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -400.084531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.084531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.084531 (E_RNA)
where:
Base-Base interactions energy: -282.205
where: short stacking energy: -114.371
Base-Backbone interact. energy: -0.185
local terms energy: -120.383075
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -28.050
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -30.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.688 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -388.923829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.923829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.923829 (E_RNA)
where:
Base-Base interactions energy: -268.959
where: short stacking energy: -103.642
Base-Backbone interact. energy: -0.102
local terms energy: -119.863194
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -25.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -115.279979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.279979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.279979 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -32.825
Base-Backbone interact. energy: -0.248
local terms energy: -81.648674
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: 5.996
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: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -538.254426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.254426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.254426 (E_RNA)
where:
Base-Base interactions energy: -384.908
where: short stacking energy: -150.927
Base-Backbone interact. energy: -0.082
local terms energy: -153.264488
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -46.870
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: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -543.745246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.745246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.745246 (E_RNA)
where:
Base-Base interactions energy: -388.839
where: short stacking energy: -155.257
Base-Backbone interact. energy: -0.006
local terms energy: -155.297591
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -32.724
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -50.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.398 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -525.653045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.653045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.653045 (E_RNA)
where:
Base-Base interactions energy: -390.396
where: short stacking energy: -150.213
Base-Backbone interact. energy: -0.001
local terms energy: -135.256551
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -27.769
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -42.461
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: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -534.411405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.411405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.411405 (E_RNA)
where:
Base-Base interactions energy: -386.363
where: short stacking energy: -149.585
Base-Backbone interact. energy: -0.001
local terms energy: -148.047351
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -44.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -518.258261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.258261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.258261 (E_RNA)
where:
Base-Base interactions energy: -383.890
where: short stacking energy: -152.444
Base-Backbone interact. energy: -0.008
local terms energy: -136.767183
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.407 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -520.796518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.796518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.796518 (E_RNA)
where:
Base-Base interactions energy: -372.052
where: short stacking energy: -142.024
Base-Backbone interact. energy: -0.013
local terms energy: -148.731367
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -46.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -500.151994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.151994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.151994 (E_RNA)
where:
Base-Base interactions energy: -357.789
where: short stacking energy: -139.098
Base-Backbone interact. energy: -0.001
local terms energy: -142.361931
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -44.532
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: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -400.118083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.118083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.118083 (E_RNA)
where:
Base-Base interactions energy: -276.867
where: short stacking energy: -104.349
Base-Backbone interact. energy: -0.270
local terms energy: -122.980544
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -30.565
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -34.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -402.495970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.495970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.495970 (E_RNA)
where:
Base-Base interactions energy: -281.990
where: short stacking energy: -113.787
Base-Backbone interact. energy: -0.049
local terms energy: -120.457329
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -32.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -129.706991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.706991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.706991 (E_RNA)
where:
Base-Base interactions energy: -50.571
where: short stacking energy: -40.996
Base-Backbone interact. energy: 1.641
local terms energy: -81.888363
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -7.671
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: 1.112 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -553.247868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.247868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.247868 (E_RNA)
where:
Base-Base interactions energy: -400.071
where: short stacking energy: -156.882
Base-Backbone interact. energy: -0.046
local terms energy: -154.452855
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -48.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.322 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -548.449311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.449311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.449311 (E_RNA)
where:
Base-Base interactions energy: -387.387
where: short stacking energy: -145.356
Base-Backbone interact. energy: -0.630
local terms energy: -160.469999
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: -47.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.038 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -524.438521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.438521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.438521 (E_RNA)
where:
Base-Base interactions energy: -374.392
where: short stacking energy: -146.009
Base-Backbone interact. energy: -0.037
local terms energy: -150.009107
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -44.360
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: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -522.242831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.242831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.242831 (E_RNA)
where:
Base-Base interactions energy: -377.501
where: short stacking energy: -143.580
Base-Backbone interact. energy: -0.097
local terms energy: -144.645303
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -42.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -514.208718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.208718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.208718 (E_RNA)
where:
Base-Base interactions energy: -365.991
where: short stacking energy: -143.930
Base-Backbone interact. energy: -0.594
local terms energy: -147.678477
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -43.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -507.917317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.917317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.917317 (E_RNA)
where:
Base-Base interactions energy: -361.284
where: short stacking energy: -135.471
Base-Backbone interact. energy: -0.002
local terms energy: -146.631051
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -40.283
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: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -504.237375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.237375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.237375 (E_RNA)
where:
Base-Base interactions energy: -361.039
where: short stacking energy: -137.357
Base-Backbone interact. energy: -0.044
local terms energy: -143.154493
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -44.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -417.607631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.607631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.607631 (E_RNA)
where:
Base-Base interactions energy: -287.398
where: short stacking energy: -110.922
Base-Backbone interact. energy: -0.006
local terms energy: -130.202746
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -36.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -408.495377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.495377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.495377 (E_RNA)
where:
Base-Base interactions energy: -293.769
where: short stacking energy: -114.977
Base-Backbone interact. energy: 0.869
local terms energy: -116.904096
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -32.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.309 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -149.644995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.644995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.644995 (E_RNA)
where:
Base-Base interactions energy: -86.654
where: short stacking energy: -34.487
Base-Backbone interact. energy: 0.546
local terms energy: -63.537046
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: 6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -550.085982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.085982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.085982 (E_RNA)
where:
Base-Base interactions energy: -396.071
where: short stacking energy: -157.136
Base-Backbone interact. energy: -0.005
local terms energy: -154.645285
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -47.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.635 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -530.265841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.265841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.265841 (E_RNA)
where:
Base-Base interactions energy: -379.241
where: short stacking energy: -143.664
Base-Backbone interact. energy: -0.042
local terms energy: -152.060159
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -46.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.078 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -525.610306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.610306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.610306 (E_RNA)
where:
Base-Base interactions energy: -375.580
where: short stacking energy: -143.525
Base-Backbone interact. energy: -0.008
local terms energy: -150.217512
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -44.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.195 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -530.190601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.190601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.190601 (E_RNA)
where:
Base-Base interactions energy: -380.009
where: short stacking energy: -136.022
Base-Backbone interact. energy: -0.035
local terms energy: -150.147301
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -30.400
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -48.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -517.042812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.042812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.042812 (E_RNA)
where:
Base-Base interactions energy: -366.809
where: short stacking energy: -141.633
Base-Backbone interact. energy: -0.002
local terms energy: -150.231842
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -46.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -505.014814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.014814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.014814 (E_RNA)
where:
Base-Base interactions energy: -368.305
where: short stacking energy: -138.391
Base-Backbone interact. energy: 2.446
local terms energy: -139.359528
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.204 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -501.426785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.426785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.426785 (E_RNA)
where:
Base-Base interactions energy: -370.665
where: short stacking energy: -144.365
Base-Backbone interact. energy: 0.162
local terms energy: -130.923886
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -404.410238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.410238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.410238 (E_RNA)
where:
Base-Base interactions energy: -276.698
where: short stacking energy: -116.246
Base-Backbone interact. energy: 5.806
local terms energy: -133.607673
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -36.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.090 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -422.748505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.748505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.748505 (E_RNA)
where:
Base-Base interactions energy: -305.451
where: short stacking energy: -111.079
Base-Backbone interact. energy: -0.026
local terms energy: -117.272198
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -27.854
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -35.926
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: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -127.507197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.507197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.507197 (E_RNA)
where:
Base-Base interactions energy: -58.705
where: short stacking energy: -41.719
Base-Backbone interact. energy: 1.088
local terms energy: -69.890102
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: 2.554
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: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -547.174544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.174544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.174544 (E_RNA)
where:
Base-Base interactions energy: -389.733
where: short stacking energy: -152.845
Base-Backbone interact. energy: -0.001
local terms energy: -157.440337
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -46.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -553.526158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.526158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.526158 (E_RNA)
where:
Base-Base interactions energy: -388.673
where: short stacking energy: -148.083
Base-Backbone interact. energy: -0.289
local terms energy: -164.564302
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -31.083
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -22.571
tors. eta vs tors. theta energy: -47.947
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: 165
Temperature: 1.000000
Total energy: -534.792927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.792927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.792927 (E_RNA)
where:
Base-Base interactions energy: -390.053
where: short stacking energy: -149.128
Base-Backbone interact. energy: -0.015
local terms energy: -144.724691
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -46.487
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: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -526.945086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.945086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.945086 (E_RNA)
where:
Base-Base interactions energy: -375.870
where: short stacking energy: -144.726
Base-Backbone interact. energy: -0.006
local terms energy: -151.068880
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -46.559
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: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -514.030302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.030302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.030302 (E_RNA)
where:
Base-Base interactions energy: -374.442
where: short stacking energy: -143.273
Base-Backbone interact. energy: -0.002
local terms energy: -139.585522
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -45.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -509.076496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.076496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.076496 (E_RNA)
where:
Base-Base interactions energy: -373.430
where: short stacking energy: -137.610
Base-Backbone interact. energy: 0.575
local terms energy: -136.971799
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -41.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.750 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -477.480990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.480990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.480990 (E_RNA)
where:
Base-Base interactions energy: -344.457
where: short stacking energy: -131.013
Base-Backbone interact. energy: -0.001
local terms energy: -133.023208
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -27.559
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -40.532
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: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -438.749469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.749469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.749469 (E_RNA)
where:
Base-Base interactions energy: -311.983
where: short stacking energy: -116.199
Base-Backbone interact. energy: 0.232
local terms energy: -126.997974
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -35.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -419.122409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.122409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.122409 (E_RNA)
where:
Base-Base interactions energy: -293.516
where: short stacking energy: -108.811
Base-Backbone interact. energy: -0.008
local terms energy: -125.616880
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -34.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.019 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -121.021709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.021709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.021709 (E_RNA)
where:
Base-Base interactions energy: -43.668
where: short stacking energy: -30.652
Base-Backbone interact. energy: -0.316
local terms energy: -79.742522
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.704 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -553.698976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.698976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.698976 (E_RNA)
where:
Base-Base interactions energy: -394.762
where: short stacking energy: -156.802
Base-Backbone interact. energy: -0.002
local terms energy: -158.934196
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -25.154
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -48.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -542.551109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.551109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.551109 (E_RNA)
where:
Base-Base interactions energy: -383.852
where: short stacking energy: -152.504
Base-Backbone interact. energy: -0.001
local terms energy: -158.829822
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -48.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.132 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -537.237670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.237670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.237670 (E_RNA)
where:
Base-Base interactions energy: -376.140
where: short stacking energy: -154.049
Base-Backbone interact. energy: -0.002
local terms energy: -161.095741
where:
bonds (distance) C4'-P energy: -31.772
bonds (distance) P-C4' energy: -29.179
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -24.709
tors. eta vs tors. theta energy: -44.936
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: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -510.654676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.654676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.654676 (E_RNA)
where:
Base-Base interactions energy: -383.266
where: short stacking energy: -150.433
Base-Backbone interact. energy: -0.000
local terms energy: -127.432368
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -502.096720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.096720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.096720 (E_RNA)
where:
Base-Base interactions energy: -371.953
where: short stacking energy: -150.804
Base-Backbone interact. energy: -0.003
local terms energy: -130.141030
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -46.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -509.390204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.390204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.390204 (E_RNA)
where:
Base-Base interactions energy: -373.184
where: short stacking energy: -148.456
Base-Backbone interact. energy: -0.001
local terms energy: -136.205228
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -27.298
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -43.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -480.398353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.398353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.398353 (E_RNA)
where:
Base-Base interactions energy: -355.076
where: short stacking energy: -138.091
Base-Backbone interact. energy: -0.008
local terms energy: -125.314164
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -435.433899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.433899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.433899 (E_RNA)
where:
Base-Base interactions energy: -314.673
where: short stacking energy: -116.753
Base-Backbone interact. energy: -0.228
local terms energy: -120.533592
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -30.806
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -32.737
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: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -382.541373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.541373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.541373 (E_RNA)
where:
Base-Base interactions energy: -259.823
where: short stacking energy: -100.916
Base-Backbone interact. energy: -0.138
local terms energy: -123.844545
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -34.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.264 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -140.829267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.829267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.829267 (E_RNA)
where:
Base-Base interactions energy: -64.483
where: short stacking energy: -50.312
Base-Backbone interact. energy: 1.341
local terms energy: -77.687087
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -552.093109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.093109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.093109 (E_RNA)
where:
Base-Base interactions energy: -394.799
where: short stacking energy: -153.802
Base-Backbone interact. energy: -0.001
local terms energy: -157.292655
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -24.750
tors. eta vs tors. theta energy: -49.554
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: 167
Temperature: 0.950000
Total energy: -544.791753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.791753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.791753 (E_RNA)
where:
Base-Base interactions energy: -387.267
where: short stacking energy: -153.810
Base-Backbone interact. energy: -0.010
local terms energy: -157.514730
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -48.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -530.237316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.237316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.237316 (E_RNA)
where:
Base-Base interactions energy: -377.227
where: short stacking energy: -145.955
Base-Backbone interact. energy: -0.001
local terms energy: -153.009899
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -28.753
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -44.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -521.752517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.752517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.752517 (E_RNA)
where:
Base-Base interactions energy: -370.408
where: short stacking energy: -143.837
Base-Backbone interact. energy: -0.001
local terms energy: -151.438357
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -28.927
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -45.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.095 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -505.601430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.601430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.601430 (E_RNA)
where:
Base-Base interactions energy: -358.407
where: short stacking energy: -138.604
Base-Backbone interact. energy: -0.282
local terms energy: -146.912349
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -41.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -501.292699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.292699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.292699 (E_RNA)
where:
Base-Base interactions energy: -360.087
where: short stacking energy: -141.607
Base-Backbone interact. energy: -0.002
local terms energy: -142.076343
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -46.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.872 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -469.104911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.104911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.104911 (E_RNA)
where:
Base-Base interactions energy: -349.589
where: short stacking energy: -128.771
Base-Backbone interact. energy: -0.086
local terms energy: -119.430288
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -442.254688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.254688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.254688 (E_RNA)
where:
Base-Base interactions energy: -309.041
where: short stacking energy: -120.181
Base-Backbone interact. energy: -0.050
local terms energy: -133.163811
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -40.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -395.641313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.641313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.641313 (E_RNA)
where:
Base-Base interactions energy: -268.534
where: short stacking energy: -106.616
Base-Backbone interact. energy: -1.633
local terms energy: -125.707147
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -30.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.233 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -115.869246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.869246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.869246 (E_RNA)
where:
Base-Base interactions energy: -47.560
where: short stacking energy: -36.111
Base-Backbone interact. energy: 1.889
local terms energy: -70.198505
where:
bonds (distance) C4'-P energy: -26.783
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -12.724
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: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -550.608139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.608139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.608139 (E_RNA)
where:
Base-Base interactions energy: -398.063
where: short stacking energy: -154.728
Base-Backbone interact. energy: -0.002
local terms energy: -152.543067
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -29.856
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -47.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -551.587608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.587608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.587608 (E_RNA)
where:
Base-Base interactions energy: -392.197
where: short stacking energy: -156.765
Base-Backbone interact. energy: -0.003
local terms energy: -159.387645
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -47.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -535.489943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.489943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.489943 (E_RNA)
where:
Base-Base interactions energy: -381.233
where: short stacking energy: -144.780
Base-Backbone interact. energy: -0.002
local terms energy: -154.255260
where:
bonds (distance) C4'-P energy: -26.783
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -45.950
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: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -524.796792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.796792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.796792 (E_RNA)
where:
Base-Base interactions energy: -370.098
where: short stacking energy: -139.289
Base-Backbone interact. energy: 0.932
local terms energy: -155.630744
where:
bonds (distance) C4'-P energy: -28.849
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -26.173
tors. eta vs tors. theta energy: -43.450
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: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -526.777444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.777444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.777444 (E_RNA)
where:
Base-Base interactions energy: -370.044
where: short stacking energy: -145.335
Base-Backbone interact. energy: -0.005
local terms energy: -156.728925
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -28.946
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -26.516
tors. eta vs tors. theta energy: -45.059
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: 168
Temperature: 1.150000
Total energy: -499.930748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.930748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.930748 (E_RNA)
where:
Base-Base interactions energy: -358.866
where: short stacking energy: -136.757
Base-Backbone interact. energy: -0.053
local terms energy: -142.762281
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -43.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.751 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -471.703888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.703888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.703888 (E_RNA)
where:
Base-Base interactions energy: -330.156
where: short stacking energy: -119.125
Base-Backbone interact. energy: -0.070
local terms energy: -141.480861
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -39.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.003 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -419.629092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.629092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.629092 (E_RNA)
where:
Base-Base interactions energy: -299.658
where: short stacking energy: -110.626
Base-Backbone interact. energy: -0.090
local terms energy: -119.881211
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -31.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -414.595645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.595645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.595645 (E_RNA)
where:
Base-Base interactions energy: -296.878
where: short stacking energy: -110.813
Base-Backbone interact. energy: -0.257
local terms energy: -117.461168
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -34.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -127.672804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.672804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.672804 (E_RNA)
where:
Base-Base interactions energy: -49.963
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.781
local terms energy: -76.928709
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -3.790
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: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -547.888509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.888509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.888509 (E_RNA)
where:
Base-Base interactions energy: -396.473
where: short stacking energy: -147.811
Base-Backbone interact. energy: -0.005
local terms energy: -151.410492
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -46.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -532.734919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.734919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.734919 (E_RNA)
where:
Base-Base interactions energy: -380.577
where: short stacking energy: -144.284
Base-Backbone interact. energy: -0.004
local terms energy: -152.153191
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -45.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -536.797119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.797119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.797119 (E_RNA)
where:
Base-Base interactions energy: -381.470
where: short stacking energy: -145.372
Base-Backbone interact. energy: -0.280
local terms energy: -155.567741
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -47.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -515.426744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.426744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.426744 (E_RNA)
where:
Base-Base interactions energy: -368.111
where: short stacking energy: -136.555
Base-Backbone interact. energy: -0.044
local terms energy: -147.271944
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -42.898
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: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -513.257270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.257270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.257270 (E_RNA)
where:
Base-Base interactions energy: -375.527
where: short stacking energy: -140.749
Base-Backbone interact. energy: -0.024
local terms energy: -137.706389
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -44.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -474.516209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.516209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.516209 (E_RNA)
where:
Base-Base interactions energy: -340.389
where: short stacking energy: -130.041
Base-Backbone interact. energy: -0.200
local terms energy: -133.927497
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -503.201696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.201696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.201696 (E_RNA)
where:
Base-Base interactions energy: -359.490
where: short stacking energy: -137.150
Base-Backbone interact. energy: -0.427
local terms energy: -143.718704
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -30.538
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -45.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.433 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -424.838932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.838932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.838932 (E_RNA)
where:
Base-Base interactions energy: -304.561
where: short stacking energy: -117.317
Base-Backbone interact. energy: -0.422
local terms energy: -119.949665
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -37.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.094 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -401.414573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.414573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.414573 (E_RNA)
where:
Base-Base interactions energy: -271.939
where: short stacking energy: -100.919
Base-Backbone interact. energy: -0.492
local terms energy: -128.984279
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -28.574
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -26.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -116.999837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.999837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.999837 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.794
local terms energy: -84.083555
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -27.703
flat angles P-C4'-P energy: -13.564
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: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -544.682651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.682651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.682651 (E_RNA)
where:
Base-Base interactions energy: -391.359
where: short stacking energy: -151.159
Base-Backbone interact. energy: -0.007
local terms energy: -153.316711
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: -48.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -530.385087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.385087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.385087 (E_RNA)
where:
Base-Base interactions energy: -383.285
where: short stacking energy: -146.908
Base-Backbone interact. energy: -0.007
local terms energy: -147.093584
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -526.446028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.446028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.446028 (E_RNA)
where:
Base-Base interactions energy: -368.905
where: short stacking energy: -136.624
Base-Backbone interact. energy: -0.011
local terms energy: -158.751909
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -26.713
tors. eta vs tors. theta energy: -46.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.222 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -502.381169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.381169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.381169 (E_RNA)
where:
Base-Base interactions energy: -363.724
where: short stacking energy: -145.223
Base-Backbone interact. energy: -0.013
local terms energy: -138.643408
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: -45.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -476.171871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.171871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.171871 (E_RNA)
where:
Base-Base interactions energy: -341.575
where: short stacking energy: -128.530
Base-Backbone interact. energy: -0.094
local terms energy: -134.503594
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -30.197
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -38.743
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: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -495.948674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.948674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.948674 (E_RNA)
where:
Base-Base interactions energy: -366.911
where: short stacking energy: -140.012
Base-Backbone interact. energy: -0.000
local terms energy: -129.037708
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -41.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -490.758721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.758721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.758721 (E_RNA)
where:
Base-Base interactions energy: -360.016
where: short stacking energy: -140.637
Base-Backbone interact. energy: -0.001
local terms energy: -130.741340
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -43.625
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -491.782832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.782832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.782832 (E_RNA)
where:
Base-Base interactions energy: -353.092
where: short stacking energy: -136.165
Base-Backbone interact. energy: 3.046
local terms energy: -141.737531
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -45.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -412.024993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.024993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.024993 (E_RNA)
where:
Base-Base interactions energy: -294.870
where: short stacking energy: -118.640
Base-Backbone interact. energy: -0.087
local terms energy: -117.279130
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -31.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.211 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -115.603479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.603479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.603479 (E_RNA)
where:
Base-Base interactions energy: -37.632
where: short stacking energy: -30.400
Base-Backbone interact. energy: 0.302
local terms energy: -78.273263
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: 3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -552.392907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.392907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.392907 (E_RNA)
where:
Base-Base interactions energy: -396.996
where: short stacking energy: -156.104
Base-Backbone interact. energy: -0.239
local terms energy: -155.157243
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -48.137
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: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -527.201535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.201535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.201535 (E_RNA)
where:
Base-Base interactions energy: -377.483
where: short stacking energy: -146.677
Base-Backbone interact. energy: -0.156
local terms energy: -152.350370
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -26.691
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -45.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.788 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -530.992653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.992653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.992653 (E_RNA)
where:
Base-Base interactions energy: -388.068
where: short stacking energy: -156.487
Base-Backbone interact. energy: -0.050
local terms energy: -142.873796
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -29.160
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -46.467
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: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -526.076192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.076192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.076192 (E_RNA)
where:
Base-Base interactions energy: -371.854
where: short stacking energy: -142.324
Base-Backbone interact. energy: -0.001
local terms energy: -154.220688
where:
bonds (distance) C4'-P energy: -26.362
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -31.554
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -43.733
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: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -501.133730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.133730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.133730 (E_RNA)
where:
Base-Base interactions energy: -361.924
where: short stacking energy: -144.253
Base-Backbone interact. energy: -0.042
local terms energy: -139.167468
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -21.436
tors. eta vs tors. theta energy: -46.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -490.809717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.809717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.809717 (E_RNA)
where:
Base-Base interactions energy: -355.942
where: short stacking energy: -141.668
Base-Backbone interact. energy: -0.093
local terms energy: -134.774505
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -42.320
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: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -484.464278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.464278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.464278 (E_RNA)
where:
Base-Base interactions energy: -358.494
where: short stacking energy: -128.496
Base-Backbone interact. energy: 0.921
local terms energy: -126.891391
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -35.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -500.008109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.008109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.008109 (E_RNA)
where:
Base-Base interactions energy: -366.421
where: short stacking energy: -139.078
Base-Backbone interact. energy: 1.154
local terms energy: -134.741192
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -46.043
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: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -450.542449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.542449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.542449 (E_RNA)
where:
Base-Base interactions energy: -322.424
where: short stacking energy: -122.140
Base-Backbone interact. energy: -0.023
local terms energy: -128.095029
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -37.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -125.097787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.097787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.097787 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.747
local terms energy: -85.351320
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: 5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -548.587374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.587374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.587374 (E_RNA)
where:
Base-Base interactions energy: -394.847
where: short stacking energy: -154.765
Base-Backbone interact. energy: -0.004
local terms energy: -153.737169
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -46.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -543.465232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.465232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.465232 (E_RNA)
where:
Base-Base interactions energy: -392.272
where: short stacking energy: -148.580
Base-Backbone interact. energy: -0.239
local terms energy: -150.954319
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -47.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -526.197129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.197129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.197129 (E_RNA)
where:
Base-Base interactions energy: -375.476
where: short stacking energy: -146.603
Base-Backbone interact. energy: -0.293
local terms energy: -150.428441
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -28.170
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -49.903
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: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -525.801596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.801596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.801596 (E_RNA)
where:
Base-Base interactions energy: -378.668
where: short stacking energy: -146.429
Base-Backbone interact. energy: -0.003
local terms energy: -147.131298
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -28.968
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -46.622
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: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -518.712124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.712124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.712124 (E_RNA)
where:
Base-Base interactions energy: -372.050
where: short stacking energy: -140.513
Base-Backbone interact. energy: -0.001
local terms energy: -147.136441
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -44.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.475 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -500.640011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.640011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.640011 (E_RNA)
where:
Base-Base interactions energy: -357.977
where: short stacking energy: -140.475
Base-Backbone interact. energy: -0.070
local terms energy: -142.593213
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -43.899
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: 172
Temperature: 1.200000
Total energy: -507.966336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.966336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.966336 (E_RNA)
where:
Base-Base interactions energy: -372.829
where: short stacking energy: -141.612
Base-Backbone interact. energy: -0.300
local terms energy: -136.290593
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -45.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.453 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -450.285371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.285371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.285371 (E_RNA)
where:
Base-Base interactions energy: -332.861
where: short stacking energy: -127.321
Base-Backbone interact. energy: -0.075
local terms energy: -117.349838
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -36.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -462.471499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.471499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.471499 (E_RNA)
where:
Base-Base interactions energy: -336.660
where: short stacking energy: -127.669
Base-Backbone interact. energy: -0.012
local terms energy: -125.798981
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -38.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -108.508000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.508000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.508000 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -25.162
Base-Backbone interact. energy: -0.459
local terms energy: -74.850089
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: 10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -544.608990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.608990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.608990 (E_RNA)
where:
Base-Base interactions energy: -395.487
where: short stacking energy: -154.597
Base-Backbone interact. energy: -0.001
local terms energy: -149.121432
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -48.235
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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -526.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.147098 (E_RNA)
where:
Base-Base interactions energy: -381.778
where: short stacking energy: -144.961
Base-Backbone interact. energy: -0.005
local terms energy: -144.364009
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -29.709
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -41.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -537.400916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.400916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.400916 (E_RNA)
where:
Base-Base interactions energy: -385.424
where: short stacking energy: -149.744
Base-Backbone interact. energy: -0.001
local terms energy: -151.975851
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -45.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -514.732052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.732052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.732052 (E_RNA)
where:
Base-Base interactions energy: -366.137
where: short stacking energy: -142.502
Base-Backbone interact. energy: -0.000
local terms energy: -148.594705
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -46.121
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: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -516.120071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.120071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.120071 (E_RNA)
where:
Base-Base interactions energy: -368.261
where: short stacking energy: -141.927
Base-Backbone interact. energy: -0.001
local terms energy: -147.858061
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: -47.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -492.346894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.346894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.346894 (E_RNA)
where:
Base-Base interactions energy: -374.337
where: short stacking energy: -146.425
Base-Backbone interact. energy: -0.003
local terms energy: -118.868510
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -44.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.861 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -489.578601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.578601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.578601 (E_RNA)
where:
Base-Base interactions energy: -366.833
where: short stacking energy: -139.208
Base-Backbone interact. energy: -0.021
local terms energy: -122.724122
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -455.841263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.841263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.841263 (E_RNA)
where:
Base-Base interactions energy: -331.194
where: short stacking energy: -129.865
Base-Backbone interact. energy: -0.108
local terms energy: -124.539178
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -40.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -447.081217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.081217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.081217 (E_RNA)
where:
Base-Base interactions energy: -323.320
where: short stacking energy: -121.119
Base-Backbone interact. energy: -0.124
local terms energy: -123.638040
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -35.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -124.244299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.244299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.244299 (E_RNA)
where:
Base-Base interactions energy: -46.839
where: short stacking energy: -33.767
Base-Backbone interact. energy: -0.350
local terms energy: -77.055540
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: 3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -542.527740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.527740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.527740 (E_RNA)
where:
Base-Base interactions energy: -390.177
where: short stacking energy: -153.611
Base-Backbone interact. energy: -0.003
local terms energy: -152.347568
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -22.265
tors. eta vs tors. theta energy: -46.471
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: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -537.490754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.490754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.490754 (E_RNA)
where:
Base-Base interactions energy: -384.445
where: short stacking energy: -150.824
Base-Backbone interact. energy: -0.000
local terms energy: -153.045764
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -43.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -532.358387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.358387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.358387 (E_RNA)
where:
Base-Base interactions energy: -383.841
where: short stacking energy: -145.282
Base-Backbone interact. energy: -0.519
local terms energy: -148.768503
where:
bonds (distance) C4'-P energy: -28.741
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -46.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.770 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -518.110500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.110500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.110500 (E_RNA)
where:
Base-Base interactions energy: -373.921
where: short stacking energy: -146.501
Base-Backbone interact. energy: -0.001
local terms energy: -144.187823
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -28.189
flat angles C4'-P-C4' energy: -29.393
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -47.982
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: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -508.152847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.152847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.152847 (E_RNA)
where:
Base-Base interactions energy: -366.880
where: short stacking energy: -139.588
Base-Backbone interact. energy: 0.136
local terms energy: -141.408896
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -47.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -514.527684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.527684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.527684 (E_RNA)
where:
Base-Base interactions energy: -368.380
where: short stacking energy: -139.441
Base-Backbone interact. energy: -0.002
local terms energy: -146.146162
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -44.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -475.391070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.391070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.391070 (E_RNA)
where:
Base-Base interactions energy: -350.360
where: short stacking energy: -135.932
Base-Backbone interact. energy: -0.011
local terms energy: -125.019732
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -39.203
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: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -486.301160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.301160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.301160 (E_RNA)
where:
Base-Base interactions energy: -340.425
where: short stacking energy: -132.329
Base-Backbone interact. energy: -0.607
local terms energy: -145.268804
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -44.089
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: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -484.457062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.457062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.457062 (E_RNA)
where:
Base-Base interactions energy: -342.281
where: short stacking energy: -131.504
Base-Backbone interact. energy: -0.047
local terms energy: -142.128953
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -41.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -127.519273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.519273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.519273 (E_RNA)
where:
Base-Base interactions energy: -61.656
where: short stacking energy: -26.040
Base-Backbone interact. energy: -0.990
local terms energy: -64.873258
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -8.554
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: 1, replica: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -545.836040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.836040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.836040 (E_RNA)
where:
Base-Base interactions energy: -386.427
where: short stacking energy: -148.733
Base-Backbone interact. energy: -0.000
local terms energy: -159.408698
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -46.173
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: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -541.948771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.948771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.948771 (E_RNA)
where:
Base-Base interactions energy: -388.730
where: short stacking energy: -153.173
Base-Backbone interact. energy: -0.003
local terms energy: -154.049914
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -46.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.834 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -536.688828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.688828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.688828 (E_RNA)
where:
Base-Base interactions energy: -384.771
where: short stacking energy: -153.170
Base-Backbone interact. energy: -0.003
local terms energy: -151.914422
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -49.839
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: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -520.787890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.787890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.787890 (E_RNA)
where:
Base-Base interactions energy: -379.238
where: short stacking energy: -144.800
Base-Backbone interact. energy: -0.006
local terms energy: -141.543575
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -42.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -517.591650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.591650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.591650 (E_RNA)
where:
Base-Base interactions energy: -366.494
where: short stacking energy: -138.575
Base-Backbone interact. energy: 1.175
local terms energy: -152.271929
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -46.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -480.716672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.716672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.716672 (E_RNA)
where:
Base-Base interactions energy: -333.905
where: short stacking energy: -129.554
Base-Backbone interact. energy: -0.345
local terms energy: -146.465933
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -27.385
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -43.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -488.596810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.596810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.596810 (E_RNA)
where:
Base-Base interactions energy: -347.884
where: short stacking energy: -137.061
Base-Backbone interact. energy: -0.078
local terms energy: -140.634338
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -46.904
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -484.307976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.307976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.307976 (E_RNA)
where:
Base-Base interactions energy: -356.986
where: short stacking energy: -132.599
Base-Backbone interact. energy: -0.793
local terms energy: -126.528127
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -45.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -470.564338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.564338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.564338 (E_RNA)
where:
Base-Base interactions energy: -348.204
where: short stacking energy: -129.700
Base-Backbone interact. energy: -0.006
local terms energy: -122.353939
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -40.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -119.101432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.101432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.101432 (E_RNA)
where:
Base-Base interactions energy: -47.183
where: short stacking energy: -39.700
Base-Backbone interact. energy: -0.505
local terms energy: -71.449641
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: 2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -543.370220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.370220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.370220 (E_RNA)
where:
Base-Base interactions energy: -391.592
where: short stacking energy: -150.748
Base-Backbone interact. energy: -0.129
local terms energy: -153.831550
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -29.817
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -45.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.182 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -537.809817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.809817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.809817 (E_RNA)
where:
Base-Base interactions energy: -393.293
where: short stacking energy: -155.482
Base-Backbone interact. energy: -0.002
local terms energy: -144.515427
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -46.220
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: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -542.122254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.122254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.122254 (E_RNA)
where:
Base-Base interactions energy: -387.316
where: short stacking energy: -147.631
Base-Backbone interact. energy: -0.128
local terms energy: -154.755767
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -31.073
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -48.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -528.641922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.641922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.641922 (E_RNA)
where:
Base-Base interactions energy: -382.213
where: short stacking energy: -148.612
Base-Backbone interact. energy: -0.602
local terms energy: -145.826752
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -47.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -514.448558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.448558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.448558 (E_RNA)
where:
Base-Base interactions energy: -365.914
where: short stacking energy: -141.352
Base-Backbone interact. energy: -0.004
local terms energy: -148.530242
where:
bonds (distance) C4'-P energy: -29.579
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -43.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -501.594726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.594726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.594726 (E_RNA)
where:
Base-Base interactions energy: -367.056
where: short stacking energy: -133.145
Base-Backbone interact. energy: -0.027
local terms energy: -134.512278
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -40.848
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: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -509.887923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.887923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.887923 (E_RNA)
where:
Base-Base interactions energy: -376.677
where: short stacking energy: -145.415
Base-Backbone interact. energy: -0.006
local terms energy: -133.204741
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -43.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -480.644125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.644125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.644125 (E_RNA)
where:
Base-Base interactions energy: -356.912
where: short stacking energy: -135.845
Base-Backbone interact. energy: -0.060
local terms energy: -123.926574
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -44.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.255 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -435.733950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.733950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.733950 (E_RNA)
where:
Base-Base interactions energy: -320.947
where: short stacking energy: -123.488
Base-Backbone interact. energy: -0.604
local terms energy: -114.183016
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -35.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -124.729970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.729970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.729970 (E_RNA)
where:
Base-Base interactions energy: -45.217
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.252
local terms energy: -79.260834
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -14.024
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: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -538.806918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.806918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.806918 (E_RNA)
where:
Base-Base interactions energy: -388.308
where: short stacking energy: -145.132
Base-Backbone interact. energy: -0.122
local terms energy: -150.962127
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -46.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.585 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -532.383561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.383561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.383561 (E_RNA)
where:
Base-Base interactions energy: -381.325
where: short stacking energy: -141.349
Base-Backbone interact. energy: -0.001
local terms energy: -152.871257
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -45.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.814 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -534.194674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.194674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.194674 (E_RNA)
where:
Base-Base interactions energy: -386.071
where: short stacking energy: -151.080
Base-Backbone interact. energy: -0.418
local terms energy: -147.705898
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -46.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -532.177240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.177240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.177240 (E_RNA)
where:
Base-Base interactions energy: -388.950
where: short stacking energy: -146.347
Base-Backbone interact. energy: -0.006
local terms energy: -143.221571
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -47.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -514.612333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.612333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.612333 (E_RNA)
where:
Base-Base interactions energy: -358.858
where: short stacking energy: -145.233
Base-Backbone interact. energy: -0.000
local terms energy: -155.753627
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -30.278
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -46.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -499.878389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.878389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.878389 (E_RNA)
where:
Base-Base interactions energy: -361.116
where: short stacking energy: -140.719
Base-Backbone interact. energy: -0.002
local terms energy: -138.760971
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -45.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -497.710974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.710974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.710974 (E_RNA)
where:
Base-Base interactions energy: -348.200
where: short stacking energy: -137.495
Base-Backbone interact. energy: -0.011
local terms energy: -149.500567
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -46.840
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: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -423.841248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.841248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.841248 (E_RNA)
where:
Base-Base interactions energy: -299.946
where: short stacking energy: -113.148
Base-Backbone interact. energy: -0.146
local terms energy: -123.748961
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -33.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -478.136213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.136213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.136213 (E_RNA)
where:
Base-Base interactions energy: -344.175
where: short stacking energy: -135.057
Base-Backbone interact. energy: -0.005
local terms energy: -133.956924
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -40.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -122.970585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.970585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.970585 (E_RNA)
where:
Base-Base interactions energy: -49.396
where: short stacking energy: -40.669
Base-Backbone interact. energy: 1.230
local terms energy: -74.804959
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -8.641
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: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -546.555992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.555992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.555992 (E_RNA)
where:
Base-Base interactions energy: -390.536
where: short stacking energy: -153.054
Base-Backbone interact. energy: -0.007
local terms energy: -156.012686
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -46.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -542.453100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.453100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.453100 (E_RNA)
where:
Base-Base interactions energy: -391.337
where: short stacking energy: -151.281
Base-Backbone interact. energy: -0.014
local terms energy: -151.101981
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: -46.200
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: 178
Temperature: 1.000000
Total energy: -538.413098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.413098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.413098 (E_RNA)
where:
Base-Base interactions energy: -388.002
where: short stacking energy: -151.880
Base-Backbone interact. energy: -0.000
local terms energy: -150.410771
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -27.674
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -47.759
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: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -531.805987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.805987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.805987 (E_RNA)
where:
Base-Base interactions energy: -381.764
where: short stacking energy: -148.852
Base-Backbone interact. energy: -0.002
local terms energy: -150.040337
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: -46.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -528.011983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.011983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.011983 (E_RNA)
where:
Base-Base interactions energy: -377.149
where: short stacking energy: -144.466
Base-Backbone interact. energy: -0.171
local terms energy: -151.011748
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -31.775
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -45.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -513.726856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.726856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.726856 (E_RNA)
where:
Base-Base interactions energy: -365.839
where: short stacking energy: -138.573
Base-Backbone interact. energy: 2.262
local terms energy: -150.149535
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -46.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -490.392131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.392131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.392131 (E_RNA)
where:
Base-Base interactions energy: -363.020
where: short stacking energy: -137.414
Base-Backbone interact. energy: -0.175
local terms energy: -127.197451
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -29.615
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -41.570
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -425.186283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.186283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.186283 (E_RNA)
where:
Base-Base interactions energy: -303.596
where: short stacking energy: -111.532
Base-Backbone interact. energy: 0.552
local terms energy: -122.142840
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -36.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -465.357571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.357571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.357571 (E_RNA)
where:
Base-Base interactions energy: -337.497
where: short stacking energy: -133.121
Base-Backbone interact. energy: -0.021
local terms energy: -127.839172
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -42.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -122.202684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.202684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.202684 (E_RNA)
where:
Base-Base interactions energy: -53.639
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.827
local terms energy: -67.736830
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: 0.884
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -545.477758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.477758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.477758 (E_RNA)
where:
Base-Base interactions energy: -389.905
where: short stacking energy: -149.497
Base-Backbone interact. energy: -0.011
local terms energy: -155.561997
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -50.377
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: 179
Temperature: 0.950000
Total energy: -534.459416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.459416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.459416 (E_RNA)
where:
Base-Base interactions energy: -379.365
where: short stacking energy: -151.170
Base-Backbone interact. energy: -0.413
local terms energy: -155.516687
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -45.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.835 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -528.258620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.258620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.258620 (E_RNA)
where:
Base-Base interactions energy: -388.659
where: short stacking energy: -152.975
Base-Backbone interact. energy: -0.002
local terms energy: -139.597125
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -44.310
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: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -532.416136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.416136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.416136 (E_RNA)
where:
Base-Base interactions energy: -383.581
where: short stacking energy: -147.702
Base-Backbone interact. energy: -0.001
local terms energy: -148.833671
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -48.338
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: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -521.976631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.976631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.976631 (E_RNA)
where:
Base-Base interactions energy: -367.353
where: short stacking energy: -142.055
Base-Backbone interact. energy: -0.003
local terms energy: -154.620385
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -43.780
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: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -504.772354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.772354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.772354 (E_RNA)
where:
Base-Base interactions energy: -357.705
where: short stacking energy: -135.824
Base-Backbone interact. energy: -0.031
local terms energy: -147.036227
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -502.338743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.338743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.338743 (E_RNA)
where:
Base-Base interactions energy: -370.758
where: short stacking energy: -141.882
Base-Backbone interact. energy: -0.042
local terms energy: -131.538610
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -40.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -461.861138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.861138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.861138 (E_RNA)
where:
Base-Base interactions energy: -348.331
where: short stacking energy: -128.540
Base-Backbone interact. energy: -0.908
local terms energy: -112.622080
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -37.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -470.920343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.920343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.920343 (E_RNA)
where:
Base-Base interactions energy: -345.279
where: short stacking energy: -134.301
Base-Backbone interact. energy: -0.050
local terms energy: -125.591362
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -42.939
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: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -113.560658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.560658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.560658 (E_RNA)
where:
Base-Base interactions energy: -42.322
where: short stacking energy: -29.427
Base-Backbone interact. energy: -0.505
local terms energy: -70.733439
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: 3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -548.347001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.347001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.347001 (E_RNA)
where:
Base-Base interactions energy: -390.493
where: short stacking energy: -149.385
Base-Backbone interact. energy: -0.003
local terms energy: -157.851481
where:
bonds (distance) C4'-P energy: -28.172
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -48.446
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: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -536.663408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.663408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.663408 (E_RNA)
where:
Base-Base interactions energy: -382.189
where: short stacking energy: -147.224
Base-Backbone interact. energy: -0.000
local terms energy: -154.981583
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -33.035
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -44.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.508 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -536.795165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.795165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.795165 (E_RNA)
where:
Base-Base interactions energy: -388.200
where: short stacking energy: -147.478
Base-Backbone interact. energy: -0.042
local terms energy: -148.553089
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -32.315
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -49.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -525.969645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.969645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.969645 (E_RNA)
where:
Base-Base interactions energy: -376.947
where: short stacking energy: -148.718
Base-Backbone interact. energy: -0.002
local terms energy: -149.020438
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -47.934
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: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -517.271155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.271155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.271155 (E_RNA)
where:
Base-Base interactions energy: -377.892
where: short stacking energy: -146.567
Base-Backbone interact. energy: -0.189
local terms energy: -139.189811
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -44.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -497.760243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.760243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.760243 (E_RNA)
where:
Base-Base interactions energy: -362.499
where: short stacking energy: -133.864
Base-Backbone interact. energy: -0.120
local terms energy: -135.141181
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -39.090
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: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -487.627450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.627450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.627450 (E_RNA)
where:
Base-Base interactions energy: -354.131
where: short stacking energy: -137.269
Base-Backbone interact. energy: -0.011
local terms energy: -133.546121
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: -42.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.060 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -482.623596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.623596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.623596 (E_RNA)
where:
Base-Base interactions energy: -346.297
where: short stacking energy: -133.552
Base-Backbone interact. energy: -0.326
local terms energy: -135.999888
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -45.091
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: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -479.694945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.694945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.694945 (E_RNA)
where:
Base-Base interactions energy: -341.240
where: short stacking energy: -128.304
Base-Backbone interact. energy: -0.285
local terms energy: -138.170809
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -27.004
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -42.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -129.248163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.248163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.248163 (E_RNA)
where:
Base-Base interactions energy: -48.894
where: short stacking energy: -44.540
Base-Backbone interact. energy: -0.462
local terms energy: -79.892075
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -544.141995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.141995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.141995 (E_RNA)
where:
Base-Base interactions energy: -387.170
where: short stacking energy: -146.671
Base-Backbone interact. energy: -0.722
local terms energy: -156.250369
where:
bonds (distance) C4'-P energy: -27.220
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -46.940
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: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -547.654065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.654065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.654065 (E_RNA)
where:
Base-Base interactions energy: -393.841
where: short stacking energy: -152.869
Base-Backbone interact. energy: -0.003
local terms energy: -154.314607
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -49.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.504 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -519.564006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.564006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.564006 (E_RNA)
where:
Base-Base interactions energy: -378.090
where: short stacking energy: -142.433
Base-Backbone interact. energy: -0.578
local terms energy: -140.896640
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -45.806
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: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -525.699525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.699525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.699525 (E_RNA)
where:
Base-Base interactions energy: -371.677
where: short stacking energy: -141.612
Base-Backbone interact. energy: -0.000
local terms energy: -154.022303
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -29.706
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -47.089
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: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -526.931015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.931015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.931015 (E_RNA)
where:
Base-Base interactions energy: -376.077
where: short stacking energy: -143.573
Base-Backbone interact. energy: -0.017
local terms energy: -150.837099
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -45.653
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: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -510.946158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.946158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.946158 (E_RNA)
where:
Base-Base interactions energy: -368.548
where: short stacking energy: -145.712
Base-Backbone interact. energy: -0.001
local terms energy: -142.397199
where:
bonds (distance) C4'-P energy: -26.083
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: -45.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -482.486434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.486434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.486434 (E_RNA)
where:
Base-Base interactions energy: -342.248
where: short stacking energy: -130.107
Base-Backbone interact. energy: -0.005
local terms energy: -140.233321
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -27.045
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -40.005
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: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -496.932618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.932618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.932618 (E_RNA)
where:
Base-Base interactions energy: -363.681
where: short stacking energy: -140.468
Base-Backbone interact. energy: -0.002
local terms energy: -133.249490
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -40.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -444.203714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.203714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.203714 (E_RNA)
where:
Base-Base interactions energy: -332.450
where: short stacking energy: -127.754
Base-Backbone interact. energy: -0.057
local terms energy: -111.696736
where:
bonds (distance) C4'-P energy: -23.612
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -27.977
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -39.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -114.433681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.433681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.433681 (E_RNA)
where:
Base-Base interactions energy: -27.492
where: short stacking energy: -28.282
Base-Backbone interact. energy: -0.660
local terms energy: -86.281562
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -16.081
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: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -543.068412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.068412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.068412 (E_RNA)
where:
Base-Base interactions energy: -387.921
where: short stacking energy: -153.914
Base-Backbone interact. energy: -0.001
local terms energy: -155.147168
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -25.233
tors. eta vs tors. theta energy: -46.117
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: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -533.857754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.857754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.857754 (E_RNA)
where:
Base-Base interactions energy: -379.926
where: short stacking energy: -141.789
Base-Backbone interact. energy: -0.007
local terms energy: -153.924518
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -45.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -535.504322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.504322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.504322 (E_RNA)
where:
Base-Base interactions energy: -385.758
where: short stacking energy: -146.357
Base-Backbone interact. energy: -0.001
local terms energy: -149.745340
where:
bonds (distance) C4'-P energy: -23.400
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -30.139
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -44.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -532.500023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.500023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.500023 (E_RNA)
where:
Base-Base interactions energy: -380.100
where: short stacking energy: -149.351
Base-Backbone interact. energy: -0.002
local terms energy: -152.397617
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -46.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -524.753421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.753421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.753421 (E_RNA)
where:
Base-Base interactions energy: -379.505
where: short stacking energy: -149.449
Base-Backbone interact. energy: -0.004
local terms energy: -145.420689
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -45.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -499.574079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.574079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.574079 (E_RNA)
where:
Base-Base interactions energy: -362.005
where: short stacking energy: -143.212
Base-Backbone interact. energy: -0.008
local terms energy: -137.561796
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -43.639
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: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -496.348701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.348701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.348701 (E_RNA)
where:
Base-Base interactions energy: -358.767
where: short stacking energy: -135.367
Base-Backbone interact. energy: -0.002
local terms energy: -137.579924
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -45.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -502.847853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.847853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.847853 (E_RNA)
where:
Base-Base interactions energy: -365.879
where: short stacking energy: -132.927
Base-Backbone interact. energy: -0.637
local terms energy: -136.331623
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -44.502
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: 182
Temperature: 1.300000
Total energy: -428.816640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.816640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.816640 (E_RNA)
where:
Base-Base interactions energy: -300.646
where: short stacking energy: -118.620
Base-Backbone interact. energy: -0.108
local terms energy: -128.061924
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -28.908
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -35.042
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: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -120.478738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.478738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.478738 (E_RNA)
where:
Base-Base interactions energy: -46.385
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.426
local terms energy: -73.667633
where:
bonds (distance) C4'-P energy: -24.137
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: 3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -553.622371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.622371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.622371 (E_RNA)
where:
Base-Base interactions energy: -392.513
where: short stacking energy: -152.873
Base-Backbone interact. energy: -0.010
local terms energy: -161.646808
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -34.418
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -51.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.547 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -535.953368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.953368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.953368 (E_RNA)
where:
Base-Base interactions energy: -386.299
where: short stacking energy: -152.917
Base-Backbone interact. energy: -0.239
local terms energy: -149.414826
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: -47.457
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: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -521.931681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.931681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.931681 (E_RNA)
where:
Base-Base interactions energy: -373.326
where: short stacking energy: -149.054
Base-Backbone interact. energy: -0.000
local terms energy: -148.967043
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -43.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.361 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -527.698838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.698838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.698838 (E_RNA)
where:
Base-Base interactions energy: -382.704
where: short stacking energy: -147.678
Base-Backbone interact. energy: -0.001
local terms energy: -144.993398
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -46.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -506.637249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.637249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.637249 (E_RNA)
where:
Base-Base interactions energy: -364.802
where: short stacking energy: -141.850
Base-Backbone interact. energy: -0.002
local terms energy: -141.875618
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -44.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -505.342793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.342793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.342793 (E_RNA)
where:
Base-Base interactions energy: -355.749
where: short stacking energy: -136.857
Base-Backbone interact. energy: -0.031
local terms energy: -149.563056
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -32.854
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -41.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -501.451983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.451983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.451983 (E_RNA)
where:
Base-Base interactions energy: -363.513
where: short stacking energy: -137.857
Base-Backbone interact. energy: 0.581
local terms energy: -138.519857
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -43.634
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: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -443.888834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.888834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.888834 (E_RNA)
where:
Base-Base interactions energy: -308.738
where: short stacking energy: -125.331
Base-Backbone interact. energy: -0.059
local terms energy: -135.091993
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -35.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -473.512256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.512256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.512256 (E_RNA)
where:
Base-Base interactions energy: -348.302
where: short stacking energy: -138.565
Base-Backbone interact. energy: -0.015
local terms energy: -125.195000
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -119.979902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.979902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.979902 (E_RNA)
where:
Base-Base interactions energy: -46.413
where: short stacking energy: -27.181
Base-Backbone interact. energy: -1.195
local terms energy: -72.801161
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: 1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.429 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -552.386287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.386287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.386287 (E_RNA)
where:
Base-Base interactions energy: -396.042
where: short stacking energy: -154.733
Base-Backbone interact. energy: -0.588
local terms energy: -155.851006
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -49.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.095 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -537.920834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.920834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.920834 (E_RNA)
where:
Base-Base interactions energy: -381.640
where: short stacking energy: -146.470
Base-Backbone interact. energy: -0.002
local terms energy: -156.279153
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -47.155
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: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -534.942055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.942055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.942055 (E_RNA)
where:
Base-Base interactions energy: -378.277
where: short stacking energy: -144.709
Base-Backbone interact. energy: -0.057
local terms energy: -156.607951
where:
bonds (distance) C4'-P energy: -29.491
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -31.413
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -46.434
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: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -528.130549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.130549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.130549 (E_RNA)
where:
Base-Base interactions energy: -382.183
where: short stacking energy: -150.207
Base-Backbone interact. energy: -0.002
local terms energy: -145.945530
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -48.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -517.759315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.759315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.759315 (E_RNA)
where:
Base-Base interactions energy: -378.730
where: short stacking energy: -145.841
Base-Backbone interact. energy: -0.701
local terms energy: -139.643672
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -28.930
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -45.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.316 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -491.059324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.059324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.059324 (E_RNA)
where:
Base-Base interactions energy: -356.013
where: short stacking energy: -136.767
Base-Backbone interact. energy: -0.191
local terms energy: -138.394130
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -41.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.538 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -472.261872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.261872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.261872 (E_RNA)
where:
Base-Base interactions energy: -338.294
where: short stacking energy: -129.006
Base-Backbone interact. energy: -0.116
local terms energy: -133.851275
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -42.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -477.783343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.783343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.783343 (E_RNA)
where:
Base-Base interactions energy: -341.585
where: short stacking energy: -133.729
Base-Backbone interact. energy: -0.001
local terms energy: -136.925603
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -29.095
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -43.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.728 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -445.468376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.468376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.468376 (E_RNA)
where:
Base-Base interactions energy: -329.386
where: short stacking energy: -123.261
Base-Backbone interact. energy: -0.085
local terms energy: -115.997137
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -37.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -130.128971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.128971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.128971 (E_RNA)
where:
Base-Base interactions energy: -63.239
where: short stacking energy: -37.691
Base-Backbone interact. energy: -0.409
local terms energy: -66.481714
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -7.690
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: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -546.427383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.427383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.427383 (E_RNA)
where:
Base-Base interactions energy: -395.345
where: short stacking energy: -154.631
Base-Backbone interact. energy: -0.001
local terms energy: -152.277240
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -25.971
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -47.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.195 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -537.832552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.832552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.832552 (E_RNA)
where:
Base-Base interactions energy: -380.566
where: short stacking energy: -147.412
Base-Backbone interact. energy: -0.001
local terms energy: -157.265555
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -46.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -535.389893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.389893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.389893 (E_RNA)
where:
Base-Base interactions energy: -390.652
where: short stacking energy: -151.137
Base-Backbone interact. energy: -0.001
local terms energy: -144.737300
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -45.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -535.064917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.064917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.064917 (E_RNA)
where:
Base-Base interactions energy: -380.183
where: short stacking energy: -148.803
Base-Backbone interact. energy: -0.001
local terms energy: -154.881119
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -48.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -517.011703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.011703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.011703 (E_RNA)
where:
Base-Base interactions energy: -373.073
where: short stacking energy: -147.939
Base-Backbone interact. energy: -0.282
local terms energy: -146.180591
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -27.932
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -43.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.524 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -482.835594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.835594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.835594 (E_RNA)
where:
Base-Base interactions energy: -346.221
where: short stacking energy: -133.236
Base-Backbone interact. energy: -0.151
local terms energy: -136.463638
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -24.953
tors. eta vs tors. theta energy: -38.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -451.470419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.470419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.470419 (E_RNA)
where:
Base-Base interactions energy: -330.380
where: short stacking energy: -119.373
Base-Backbone interact. energy: 2.876
local terms energy: -123.966353
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -35.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -457.357294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.357294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.357294 (E_RNA)
where:
Base-Base interactions energy: -339.876
where: short stacking energy: -122.806
Base-Backbone interact. energy: -0.078
local terms energy: -117.754140
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -35.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.351 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -479.589495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.589495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.589495 (E_RNA)
where:
Base-Base interactions energy: -335.793
where: short stacking energy: -130.924
Base-Backbone interact. energy: -1.162
local terms energy: -142.633952
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -42.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -118.644556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.644556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.644556 (E_RNA)
where:
Base-Base interactions energy: -58.488
where: short stacking energy: -33.361
Base-Backbone interact. energy: -0.192
local terms energy: -59.965356
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -546.612270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.612270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.612270 (E_RNA)
where:
Base-Base interactions energy: -394.283
where: short stacking energy: -151.738
Base-Backbone interact. energy: -0.002
local terms energy: -152.327920
where:
bonds (distance) C4'-P energy: -28.572
bonds (distance) P-C4' energy: -29.234
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -538.745825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.745825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.745825 (E_RNA)
where:
Base-Base interactions energy: -387.129
where: short stacking energy: -150.159
Base-Backbone interact. energy: -0.002
local terms energy: -151.819896
where:
bonds (distance) C4'-P energy: -28.753
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -44.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.205 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -523.679937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.679937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.679937 (E_RNA)
where:
Base-Base interactions energy: -370.500
where: short stacking energy: -146.653
Base-Backbone interact. energy: -0.000
local terms energy: -153.179319
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -32.058
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -47.502
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: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -529.239481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.239481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.239481 (E_RNA)
where:
Base-Base interactions energy: -381.091
where: short stacking energy: -154.005
Base-Backbone interact. energy: -0.005
local terms energy: -148.143495
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -45.155
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: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -502.141032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.141032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.141032 (E_RNA)
where:
Base-Base interactions energy: -362.811
where: short stacking energy: -139.216
Base-Backbone interact. energy: -0.001
local terms energy: -140.475515
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -44.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.146 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -501.268007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.268007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.268007 (E_RNA)
where:
Base-Base interactions energy: -358.180
where: short stacking energy: -139.407
Base-Backbone interact. energy: -0.002
local terms energy: -143.140259
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -28.984
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -47.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -487.256964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.256964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.256964 (E_RNA)
where:
Base-Base interactions energy: -351.581
where: short stacking energy: -141.505
Base-Backbone interact. energy: -0.003
local terms energy: -135.673350
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -46.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -445.483108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.483108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.483108 (E_RNA)
where:
Base-Base interactions energy: -309.085
where: short stacking energy: -119.019
Base-Backbone interact. energy: -0.460
local terms energy: -135.938138
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -29.493
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -32.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -484.608220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.608220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.608220 (E_RNA)
where:
Base-Base interactions energy: -360.327
where: short stacking energy: -134.860
Base-Backbone interact. energy: -0.293
local terms energy: -124.012994
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -42.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.024 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -137.255365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.255365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.255365 (E_RNA)
where:
Base-Base interactions energy: -56.229
where: short stacking energy: -38.526
Base-Backbone interact. energy: 0.251
local terms energy: -81.277355
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -10.342
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: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -548.434694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.434694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.434694 (E_RNA)
where:
Base-Base interactions energy: -391.182
where: short stacking energy: -150.713
Base-Backbone interact. energy: -0.014
local terms energy: -157.238812
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -33.156
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -46.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -539.840681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.840681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.840681 (E_RNA)
where:
Base-Base interactions energy: -382.265
where: short stacking energy: -148.375
Base-Backbone interact. energy: -0.241
local terms energy: -157.334678
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -46.904
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: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -514.884945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.884945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.884945 (E_RNA)
where:
Base-Base interactions energy: -378.775
where: short stacking energy: -141.951
Base-Backbone interact. energy: -0.003
local terms energy: -136.106913
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -39.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -525.515846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.515846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.515846 (E_RNA)
where:
Base-Base interactions energy: -381.579
where: short stacking energy: -144.783
Base-Backbone interact. energy: -0.003
local terms energy: -144.533036
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -46.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.599 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -502.487842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.487842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.487842 (E_RNA)
where:
Base-Base interactions energy: -362.642
where: short stacking energy: -142.324
Base-Backbone interact. energy: -0.133
local terms energy: -139.712503
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -43.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -514.424184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.424184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.424184 (E_RNA)
where:
Base-Base interactions energy: -373.533
where: short stacking energy: -147.110
Base-Backbone interact. energy: -0.003
local terms energy: -140.888892
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -44.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -485.226740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.226740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.226740 (E_RNA)
where:
Base-Base interactions energy: -349.676
where: short stacking energy: -134.204
Base-Backbone interact. energy: -0.287
local terms energy: -135.263690
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -37.555
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: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -495.335434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.335434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.335434 (E_RNA)
where:
Base-Base interactions energy: -356.130
where: short stacking energy: -133.788
Base-Backbone interact. energy: -0.053
local terms energy: -139.152382
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -42.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -418.703749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.703749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.703749 (E_RNA)
where:
Base-Base interactions energy: -289.500
where: short stacking energy: -106.759
Base-Backbone interact. energy: -0.068
local terms energy: -129.135386
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -33.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -141.212020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.212020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.212020 (E_RNA)
where:
Base-Base interactions energy: -44.830
where: short stacking energy: -44.347
Base-Backbone interact. energy: -0.349
local terms energy: -96.033064
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -9.475
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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -542.866738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.866738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.866738 (E_RNA)
where:
Base-Base interactions energy: -383.703
where: short stacking energy: -144.556
Base-Backbone interact. energy: -0.011
local terms energy: -159.152748
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -34.405
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -47.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -532.979516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.979516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.979516 (E_RNA)
where:
Base-Base interactions energy: -380.073
where: short stacking energy: -149.034
Base-Backbone interact. energy: 0.529
local terms energy: -153.435359
where:
bonds (distance) C4'-P energy: -28.354
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -47.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -531.507898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.507898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.507898 (E_RNA)
where:
Base-Base interactions energy: -378.126
where: short stacking energy: -143.247
Base-Backbone interact. energy: -0.281
local terms energy: -153.105942
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -43.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -515.612047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.612047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.612047 (E_RNA)
where:
Base-Base interactions energy: -376.901
where: short stacking energy: -140.809
Base-Backbone interact. energy: -0.094
local terms energy: -138.617115
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -42.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -506.396134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.396134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.396134 (E_RNA)
where:
Base-Base interactions energy: -365.443
where: short stacking energy: -142.004
Base-Backbone interact. energy: -0.023
local terms energy: -140.930486
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -43.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -499.877393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.877393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.877393 (E_RNA)
where:
Base-Base interactions energy: -363.126
where: short stacking energy: -142.513
Base-Backbone interact. energy: 0.840
local terms energy: -137.591725
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -43.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -493.807637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.807637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.807637 (E_RNA)
where:
Base-Base interactions energy: -356.971
where: short stacking energy: -132.232
Base-Backbone interact. energy: -0.014
local terms energy: -136.822812
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -42.217
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: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -486.450224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.450224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.450224 (E_RNA)
where:
Base-Base interactions energy: -347.311
where: short stacking energy: -135.687
Base-Backbone interact. energy: -0.002
local terms energy: -139.137453
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -36.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -429.601932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.601932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.601932 (E_RNA)
where:
Base-Base interactions energy: -306.629
where: short stacking energy: -113.202
Base-Backbone interact. energy: 0.935
local terms energy: -123.908192
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -34.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -142.496324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.496324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.496324 (E_RNA)
where:
Base-Base interactions energy: -73.577
where: short stacking energy: -37.201
Base-Backbone interact. energy: -0.781
local terms energy: -68.138951
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: 5.397
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: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -551.897811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.897811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.897811 (E_RNA)
where:
Base-Base interactions energy: -401.349
where: short stacking energy: -157.788
Base-Backbone interact. energy: -0.763
local terms energy: -151.139311
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -48.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.353 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -538.395662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.395662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.395662 (E_RNA)
where:
Base-Base interactions energy: -386.643
where: short stacking energy: -146.629
Base-Backbone interact. energy: -0.468
local terms energy: -151.284269
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -48.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -522.800002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.800002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.800002 (E_RNA)
where:
Base-Base interactions energy: -377.342
where: short stacking energy: -146.937
Base-Backbone interact. energy: -0.001
local terms energy: -145.456885
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -42.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -528.697099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.697099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.697099 (E_RNA)
where:
Base-Base interactions energy: -380.084
where: short stacking energy: -141.502
Base-Backbone interact. energy: -0.001
local terms energy: -148.612061
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -46.847
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: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -522.169805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.169805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.169805 (E_RNA)
where:
Base-Base interactions energy: -371.008
where: short stacking energy: -141.896
Base-Backbone interact. energy: 0.516
local terms energy: -151.678435
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -29.790
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -48.994
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: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -503.691220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.691220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.691220 (E_RNA)
where:
Base-Base interactions energy: -360.685
where: short stacking energy: -139.060
Base-Backbone interact. energy: -0.009
local terms energy: -142.996919
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -43.046
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: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -506.163555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.163555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.163555 (E_RNA)
where:
Base-Base interactions energy: -372.149
where: short stacking energy: -143.327
Base-Backbone interact. energy: -0.176
local terms energy: -133.838340
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -43.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -487.805416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.805416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.805416 (E_RNA)
where:
Base-Base interactions energy: -347.238
where: short stacking energy: -129.724
Base-Backbone interact. energy: 2.015
local terms energy: -142.582266
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -44.822
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: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -414.236890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.236890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.236890 (E_RNA)
where:
Base-Base interactions energy: -282.401
where: short stacking energy: -99.124
Base-Backbone interact. energy: -0.652
local terms energy: -131.183619
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -29.615
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -33.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -125.308334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.308334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.308334 (E_RNA)
where:
Base-Base interactions energy: -49.715
where: short stacking energy: -22.785
Base-Backbone interact. energy: -1.103
local terms energy: -74.489999
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.846
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: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -545.727242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.727242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.727242 (E_RNA)
where:
Base-Base interactions energy: -390.706
where: short stacking energy: -149.399
Base-Backbone interact. energy: -0.001
local terms energy: -156.119494
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.098 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -550.494945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.494945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.494945 (E_RNA)
where:
Base-Base interactions energy: -390.256
where: short stacking energy: -147.967
Base-Backbone interact. energy: -0.127
local terms energy: -160.112258
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -32.231
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -49.320
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: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -534.404895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.404895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.404895 (E_RNA)
where:
Base-Base interactions energy: -381.138
where: short stacking energy: -144.776
Base-Backbone interact. energy: -0.050
local terms energy: -153.216336
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -46.270
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: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -522.398991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.398991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.398991 (E_RNA)
where:
Base-Base interactions energy: -370.362
where: short stacking energy: -143.254
Base-Backbone interact. energy: -0.343
local terms energy: -151.693870
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -33.982
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -42.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -504.922557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.922557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.922557 (E_RNA)
where:
Base-Base interactions energy: -359.190
where: short stacking energy: -138.934
Base-Backbone interact. energy: -0.065
local terms energy: -145.666838
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -47.059
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: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -514.994616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.994616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.994616 (E_RNA)
where:
Base-Base interactions energy: -363.708
where: short stacking energy: -141.949
Base-Backbone interact. energy: -0.000
local terms energy: -151.286644
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -44.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -499.054442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.054442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.054442 (E_RNA)
where:
Base-Base interactions energy: -369.283
where: short stacking energy: -138.894
Base-Backbone interact. energy: -0.080
local terms energy: -129.691459
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: -44.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -490.443474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.443474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.443474 (E_RNA)
where:
Base-Base interactions energy: -344.846
where: short stacking energy: -133.767
Base-Backbone interact. energy: -0.017
local terms energy: -145.580019
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -42.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -420.276987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.276987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.276987 (E_RNA)
where:
Base-Base interactions energy: -299.729
where: short stacking energy: -121.039
Base-Backbone interact. energy: -0.004
local terms energy: -120.585035
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -38.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.041 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -135.818727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.818727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.818727 (E_RNA)
where:
Base-Base interactions energy: -60.084
where: short stacking energy: -41.479
Base-Backbone interact. energy: -1.669
local terms energy: -76.044950
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.979 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -545.795071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.795071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.795071 (E_RNA)
where:
Base-Base interactions energy: -394.897
where: short stacking energy: -155.369
Base-Backbone interact. energy: -0.009
local terms energy: -150.888732
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -46.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -545.633480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.633480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.633480 (E_RNA)
where:
Base-Base interactions energy: -392.961
where: short stacking energy: -152.847
Base-Backbone interact. energy: -0.012
local terms energy: -152.660349
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -27.024
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -46.355
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: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -531.026113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.026113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.026113 (E_RNA)
where:
Base-Base interactions energy: -388.993
where: short stacking energy: -151.153
Base-Backbone interact. energy: -0.001
local terms energy: -143.783324
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -48.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.751 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -516.271031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.271031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.271031 (E_RNA)
where:
Base-Base interactions energy: -377.441
where: short stacking energy: -141.928
Base-Backbone interact. energy: -0.004
local terms energy: -139.089905
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -45.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -515.798185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.798185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.798185 (E_RNA)
where:
Base-Base interactions energy: -378.073
where: short stacking energy: -148.678
Base-Backbone interact. energy: -0.001
local terms energy: -137.724406
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -45.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -504.395079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.395079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.395079 (E_RNA)
where:
Base-Base interactions energy: -358.067
where: short stacking energy: -133.054
Base-Backbone interact. energy: -0.010
local terms energy: -146.318262
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -45.148
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: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -489.145999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.145999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.145999 (E_RNA)
where:
Base-Base interactions energy: -350.360
where: short stacking energy: -140.354
Base-Backbone interact. energy: -0.009
local terms energy: -138.777516
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -44.253
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: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -492.966495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.966495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.966495 (E_RNA)
where:
Base-Base interactions energy: -361.578
where: short stacking energy: -144.750
Base-Backbone interact. energy: -0.601
local terms energy: -130.786705
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -44.298
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: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -402.549591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.549591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.549591 (E_RNA)
where:
Base-Base interactions energy: -278.655
where: short stacking energy: -108.796
Base-Backbone interact. energy: -0.122
local terms energy: -123.772465
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -29.654
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -29.883
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: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -116.632393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.632393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.632393 (E_RNA)
where:
Base-Base interactions energy: -49.587
where: short stacking energy: -29.886
Base-Backbone interact. energy: -0.426
local terms energy: -67.824000
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -10.932
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: 1.205 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -545.669203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.669203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.669203 (E_RNA)
where:
Base-Base interactions energy: -384.837
where: short stacking energy: -152.310
Base-Backbone interact. energy: -0.011
local terms energy: -160.821045
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -49.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -538.627911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.627911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.627911 (E_RNA)
where:
Base-Base interactions energy: -390.183
where: short stacking energy: -151.923
Base-Backbone interact. energy: -0.001
local terms energy: -149.593279
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -48.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.150 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -533.213847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.213847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.213847 (E_RNA)
where:
Base-Base interactions energy: -380.593
where: short stacking energy: -145.526
Base-Backbone interact. energy: -0.044
local terms energy: -152.576866
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -30.445
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -47.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -531.266787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.266787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.266787 (E_RNA)
where:
Base-Base interactions energy: -387.093
where: short stacking energy: -147.857
Base-Backbone interact. energy: 1.479
local terms energy: -146.066571
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -45.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.413 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -500.564342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.564342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.564342 (E_RNA)
where:
Base-Base interactions energy: -356.668
where: short stacking energy: -138.219
Base-Backbone interact. energy: -0.631
local terms energy: -143.265146
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -40.800
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: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -519.194195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.194195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.194195 (E_RNA)
where:
Base-Base interactions energy: -366.647
where: short stacking energy: -142.243
Base-Backbone interact. energy: -0.239
local terms energy: -152.308062
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -47.093
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: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -501.692579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.692579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.692579 (E_RNA)
where:
Base-Base interactions energy: -359.550
where: short stacking energy: -137.973
Base-Backbone interact. energy: -0.003
local terms energy: -142.139562
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -43.838
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -453.671741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.671741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.671741 (E_RNA)
where:
Base-Base interactions energy: -336.559
where: short stacking energy: -125.268
Base-Backbone interact. energy: -0.443
local terms energy: -116.670054
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -38.196
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: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -403.844258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.844258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.844258 (E_RNA)
where:
Base-Base interactions energy: -277.420
where: short stacking energy: -115.565
Base-Backbone interact. energy: -0.877
local terms energy: -125.547852
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -29.399
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: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -107.571399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.571399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.571399 (E_RNA)
where:
Base-Base interactions energy: -36.192
where: short stacking energy: -18.814
Base-Backbone interact. energy: -0.143
local terms energy: -72.231373
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.994 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -538.590783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.590783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.590783 (E_RNA)
where:
Base-Base interactions energy: -379.646
where: short stacking energy: -145.174
Base-Backbone interact. energy: -0.002
local terms energy: -160.420287
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -45.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.478 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -539.865095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.865095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.865095 (E_RNA)
where:
Base-Base interactions energy: -386.516
where: short stacking energy: -153.604
Base-Backbone interact. energy: -0.364
local terms energy: -152.985052
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -33.663
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -48.144
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: 193
Temperature: 1.000000
Total energy: -530.689956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.689956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.689956 (E_RNA)
where:
Base-Base interactions energy: -385.681
where: short stacking energy: -147.014
Base-Backbone interact. energy: -0.002
local terms energy: -145.006619
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -26.816
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -46.147
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: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -516.522779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.522779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.522779 (E_RNA)
where:
Base-Base interactions energy: -369.415
where: short stacking energy: -147.438
Base-Backbone interact. energy: -0.122
local terms energy: -146.985253
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -43.589
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: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -514.949624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.949624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.949624 (E_RNA)
where:
Base-Base interactions energy: -361.918
where: short stacking energy: -139.917
Base-Backbone interact. energy: 0.721
local terms energy: -153.751822
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -46.690
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -501.689767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.689767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.689767 (E_RNA)
where:
Base-Base interactions energy: -356.368
where: short stacking energy: -133.753
Base-Backbone interact. energy: -0.139
local terms energy: -145.182591
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -40.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -499.924216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.924216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.924216 (E_RNA)
where:
Base-Base interactions energy: -369.263
where: short stacking energy: -143.643
Base-Backbone interact. energy: -0.003
local terms energy: -130.658367
where:
bonds (distance) C4'-P energy: -23.483
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -43.666
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: 193
Temperature: 1.250000
Total energy: -405.104454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.104454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.104454 (E_RNA)
where:
Base-Base interactions energy: -294.146
where: short stacking energy: -112.737
Base-Backbone interact. energy: 0.042
local terms energy: -111.000497
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -30.529
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: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -473.627457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.627457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.627457 (E_RNA)
where:
Base-Base interactions energy: -339.433
where: short stacking energy: -133.263
Base-Backbone interact. energy: -0.020
local terms energy: -134.175079
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -38.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -138.091750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.091750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.091750 (E_RNA)
where:
Base-Base interactions energy: -65.524
where: short stacking energy: -44.756
Base-Backbone interact. energy: -1.123
local terms energy: -71.444321
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -13.363
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: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -538.681649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.681649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.681649 (E_RNA)
where:
Base-Base interactions energy: -392.216
where: short stacking energy: -153.803
Base-Backbone interact. energy: -0.002
local terms energy: -146.463406
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -45.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -541.366390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.366390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.366390 (E_RNA)
where:
Base-Base interactions energy: -384.441
where: short stacking energy: -146.966
Base-Backbone interact. energy: -0.217
local terms energy: -156.708390
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -30.819
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -21.598
tors. eta vs tors. theta energy: -49.612
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -535.563216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.563216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.563216 (E_RNA)
where:
Base-Base interactions energy: -377.665
where: short stacking energy: -150.778
Base-Backbone interact. energy: -0.003
local terms energy: -157.895229
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -22.865
tors. eta vs tors. theta energy: -46.709
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: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -531.429452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.429452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.429452 (E_RNA)
where:
Base-Base interactions energy: -380.854
where: short stacking energy: -146.298
Base-Backbone interact. energy: -0.001
local terms energy: -150.574253
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -44.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -525.336883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.336883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.336883 (E_RNA)
where:
Base-Base interactions energy: -381.687
where: short stacking energy: -148.925
Base-Backbone interact. energy: -0.006
local terms energy: -143.756236
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -45.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.113 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -507.938066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.938066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.938066 (E_RNA)
where:
Base-Base interactions energy: -365.361
where: short stacking energy: -141.997
Base-Backbone interact. energy: -0.242
local terms energy: -142.743025
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -42.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -495.409228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.409228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.409228 (E_RNA)
where:
Base-Base interactions energy: -366.755
where: short stacking energy: -139.429
Base-Backbone interact. energy: -0.405
local terms energy: -129.121756
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -41.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.873 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -448.006325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.006325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.006325 (E_RNA)
where:
Base-Base interactions energy: -316.065
where: short stacking energy: -119.973
Base-Backbone interact. energy: -0.501
local terms energy: -131.440228
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -35.455
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: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -425.675911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.675911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.675911 (E_RNA)
where:
Base-Base interactions energy: -305.171
where: short stacking energy: -113.068
Base-Backbone interact. energy: -0.076
local terms energy: -120.428394
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -33.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -130.495287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.495287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.495287 (E_RNA)
where:
Base-Base interactions energy: -63.166
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.220
local terms energy: -67.285976
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -545.306147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.306147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.306147 (E_RNA)
where:
Base-Base interactions energy: -388.186
where: short stacking energy: -152.948
Base-Backbone interact. energy: -0.000
local terms energy: -157.920286
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -48.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.800 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -539.639329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.639329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.639329 (E_RNA)
where:
Base-Base interactions energy: -390.100
where: short stacking energy: -153.506
Base-Backbone interact. energy: -0.014
local terms energy: -149.524833
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -28.555
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -46.788
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: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -519.591341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.591341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.591341 (E_RNA)
where:
Base-Base interactions energy: -370.243
where: short stacking energy: -141.830
Base-Backbone interact. energy: -0.002
local terms energy: -149.346060
where:
bonds (distance) C4'-P energy: -28.707
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -29.030
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -42.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -532.140562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.140562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.140562 (E_RNA)
where:
Base-Base interactions energy: -380.994
where: short stacking energy: -146.154
Base-Backbone interact. energy: -0.002
local terms energy: -151.144693
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -31.301
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -47.128
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: 195
Temperature: 1.100000
Total energy: -527.327931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.327931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.327931 (E_RNA)
where:
Base-Base interactions energy: -375.324
where: short stacking energy: -143.611
Base-Backbone interact. energy: -0.002
local terms energy: -152.001737
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -46.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -499.620576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.620576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.620576 (E_RNA)
where:
Base-Base interactions energy: -356.793
where: short stacking energy: -140.518
Base-Backbone interact. energy: -0.002
local terms energy: -142.825523
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -27.339
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -46.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -515.340902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.340902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.340902 (E_RNA)
where:
Base-Base interactions energy: -379.313
where: short stacking energy: -140.595
Base-Backbone interact. energy: -0.252
local terms energy: -135.775957
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -422.300956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.300956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.300956 (E_RNA)
where:
Base-Base interactions energy: -306.817
where: short stacking energy: -119.253
Base-Backbone interact. energy: 2.926
local terms energy: -118.410207
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -21.468
tors. eta vs tors. theta energy: -33.618
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: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -430.180341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.180341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.180341 (E_RNA)
where:
Base-Base interactions energy: -303.821
where: short stacking energy: -120.359
Base-Backbone interact. energy: 2.050
local terms energy: -128.409639
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -26.154
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -31.106
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: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -117.044413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.044413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.044413 (E_RNA)
where:
Base-Base interactions energy: -41.029
where: short stacking energy: -39.376
Base-Backbone interact. energy: -0.355
local terms energy: -75.660400
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -6.330
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: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -544.153583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.153583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.153583 (E_RNA)
where:
Base-Base interactions energy: -378.025
where: short stacking energy: -147.554
Base-Backbone interact. energy: -0.001
local terms energy: -166.127534
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -50.028
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -537.889180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.889180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.889180 (E_RNA)
where:
Base-Base interactions energy: -386.428
where: short stacking energy: -151.670
Base-Backbone interact. energy: -0.043
local terms energy: -151.417423
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -48.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -531.613299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.613299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.613299 (E_RNA)
where:
Base-Base interactions energy: -377.157
where: short stacking energy: -151.171
Base-Backbone interact. energy: -0.294
local terms energy: -154.162029
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -31.916
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -46.522
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: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -522.783623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.783623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.783623 (E_RNA)
where:
Base-Base interactions energy: -368.611
where: short stacking energy: -142.094
Base-Backbone interact. energy: -0.000
local terms energy: -156.587714
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.416 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -517.446348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.446348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.446348 (E_RNA)
where:
Base-Base interactions energy: -373.405
where: short stacking energy: -141.568
Base-Backbone interact. energy: -0.001
local terms energy: -144.040540
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -44.109
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: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -497.879513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.879513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.879513 (E_RNA)
where:
Base-Base interactions energy: -359.320
where: short stacking energy: -138.695
Base-Backbone interact. energy: -0.014
local terms energy: -145.758862
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -41.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 7.212 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -435.714399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.714399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.714399 (E_RNA)
where:
Base-Base interactions energy: -301.278
where: short stacking energy: -118.344
Base-Backbone interact. energy: -0.326
local terms energy: -134.110546
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -34.890
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: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -499.577850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.577850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.577850 (E_RNA)
where:
Base-Base interactions energy: -363.257
where: short stacking energy: -142.373
Base-Backbone interact. energy: -0.000
local terms energy: -136.320450
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -44.255
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: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -434.431832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.431832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.431832 (E_RNA)
where:
Base-Base interactions energy: -306.407
where: short stacking energy: -120.155
Base-Backbone interact. energy: -0.141
local terms energy: -127.883874
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -35.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -140.778186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.778186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.778186 (E_RNA)
where:
Base-Base interactions energy: -56.892
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.320
local terms energy: -84.276683
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -15.869
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: 0.711 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -545.015218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.015218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.015218 (E_RNA)
where:
Base-Base interactions energy: -388.766
where: short stacking energy: -154.955
Base-Backbone interact. energy: -0.035
local terms energy: -156.213544
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -28.947
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -48.290
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: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -541.396071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.396071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.396071 (E_RNA)
where:
Base-Base interactions energy: -382.221
where: short stacking energy: -147.284
Base-Backbone interact. energy: -0.001
local terms energy: -159.173600
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: -46.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -536.539979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.539979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.539979 (E_RNA)
where:
Base-Base interactions energy: -376.314
where: short stacking energy: -142.538
Base-Backbone interact. energy: -0.280
local terms energy: -159.945617
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -31.590
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: -46.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -526.322231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.322231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.322231 (E_RNA)
where:
Base-Base interactions energy: -379.913
where: short stacking energy: -147.298
Base-Backbone interact. energy: -0.001
local terms energy: -146.408156
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -46.559
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -523.666509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.666509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.666509 (E_RNA)
where:
Base-Base interactions energy: -388.085
where: short stacking energy: -148.977
Base-Backbone interact. energy: -0.001
local terms energy: -135.613384
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -25.894
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -44.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -505.599652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.599652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.599652 (E_RNA)
where:
Base-Base interactions energy: -370.189
where: short stacking energy: -145.635
Base-Backbone interact. energy: -0.006
local terms energy: -135.404180
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -23.156
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -44.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -435.749181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.749181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.749181 (E_RNA)
where:
Base-Base interactions energy: -315.584
where: short stacking energy: -118.308
Base-Backbone interact. energy: -0.237
local terms energy: -119.928393
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -34.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -469.085666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.085666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.085666 (E_RNA)
where:
Base-Base interactions energy: -340.998
where: short stacking energy: -126.512
Base-Backbone interact. energy: -0.690
local terms energy: -127.397523
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -34.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -441.162531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.162531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.162531 (E_RNA)
where:
Base-Base interactions energy: -326.449
where: short stacking energy: -125.685
Base-Backbone interact. energy: -0.052
local terms energy: -114.661361
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -39.380
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: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -120.273319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.273319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.273319 (E_RNA)
where:
Base-Base interactions energy: -29.565
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.343
local terms energy: -90.365196
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -12.192
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: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -543.254147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.254147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.254147 (E_RNA)
where:
Base-Base interactions energy: -391.851
where: short stacking energy: -156.486
Base-Backbone interact. energy: -0.009
local terms energy: -151.393429
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -46.837
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: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -549.860686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.860686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.860686 (E_RNA)
where:
Base-Base interactions energy: -392.363
where: short stacking energy: -156.727
Base-Backbone interact. energy: -0.002
local terms energy: -157.495944
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -28.732
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -48.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -518.547092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.547092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.547092 (E_RNA)
where:
Base-Base interactions energy: -367.640
where: short stacking energy: -145.454
Base-Backbone interact. energy: -0.003
local terms energy: -150.904627
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -41.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -503.242203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.242203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.242203 (E_RNA)
where:
Base-Base interactions energy: -369.910
where: short stacking energy: -139.744
Base-Backbone interact. energy: -0.114
local terms energy: -133.217640
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -42.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -514.203212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.203212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.203212 (E_RNA)
where:
Base-Base interactions energy: -376.442
where: short stacking energy: -141.554
Base-Backbone interact. energy: -0.001
local terms energy: -138.114022
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -25.934
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -44.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.354 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -509.276311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.276311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.276311 (E_RNA)
where:
Base-Base interactions energy: -366.387
where: short stacking energy: -146.970
Base-Backbone interact. energy: -0.009
local terms energy: -143.686918
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -46.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.806 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -499.970542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.970542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.970542 (E_RNA)
where:
Base-Base interactions energy: -365.606
where: short stacking energy: -144.221
Base-Backbone interact. energy: -0.342
local terms energy: -134.022695
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -40.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -470.191134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.191134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.191134 (E_RNA)
where:
Base-Base interactions energy: -353.328
where: short stacking energy: -133.979
Base-Backbone interact. energy: -0.001
local terms energy: -116.861934
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -38.990
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: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -419.712537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.712537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.712537 (E_RNA)
where:
Base-Base interactions energy: -295.941
where: short stacking energy: -109.920
Base-Backbone interact. energy: -0.870
local terms energy: -122.901872
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -28.402
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -33.770
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: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -112.947027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.947027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.947027 (E_RNA)
where:
Base-Base interactions energy: -29.460
where: short stacking energy: -23.721
Base-Backbone interact. energy: -1.125
local terms energy: -82.362341
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: 4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -541.773738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.773738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.773738 (E_RNA)
where:
Base-Base interactions energy: -386.555
where: short stacking energy: -150.838
Base-Backbone interact. energy: -0.001
local terms energy: -155.218196
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -48.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -547.371063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.371063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.371063 (E_RNA)
where:
Base-Base interactions energy: -391.917
where: short stacking energy: -152.029
Base-Backbone interact. energy: -0.001
local terms energy: -155.452730
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -46.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -534.842576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.842576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.842576 (E_RNA)
where:
Base-Base interactions energy: -381.889
where: short stacking energy: -146.814
Base-Backbone interact. energy: -0.576
local terms energy: -152.377327
where:
bonds (distance) C4'-P energy: -28.892
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: -44.641
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: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -527.947019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.947019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.947019 (E_RNA)
where:
Base-Base interactions energy: -375.702
where: short stacking energy: -142.555
Base-Backbone interact. energy: -0.018
local terms energy: -152.226733
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -47.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -517.860112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.860112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.860112 (E_RNA)
where:
Base-Base interactions energy: -373.383
where: short stacking energy: -146.722
Base-Backbone interact. energy: -0.003
local terms energy: -144.473979
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -48.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -499.412554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.412554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.412554 (E_RNA)
where:
Base-Base interactions energy: -361.026
where: short stacking energy: -137.188
Base-Backbone interact. energy: -0.079
local terms energy: -138.307983
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -27.494
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -40.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -500.853965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.853965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.853965 (E_RNA)
where:
Base-Base interactions energy: -366.533
where: short stacking energy: -137.482
Base-Backbone interact. energy: -0.002
local terms energy: -134.341949
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -39.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -494.241467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.241467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.241467 (E_RNA)
where:
Base-Base interactions energy: -362.240
where: short stacking energy: -142.245
Base-Backbone interact. energy: -0.161
local terms energy: -131.841318
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -29.723
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -44.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -417.474428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.474428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.474428 (E_RNA)
where:
Base-Base interactions energy: -303.122
where: short stacking energy: -118.906
Base-Backbone interact. energy: -0.136
local terms energy: -114.805540
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -25.154
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -33.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.590 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -121.030684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.030684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.030684 (E_RNA)
where:
Base-Base interactions energy: -44.318
where: short stacking energy: -25.861
Base-Backbone interact. energy: 0.342
local terms energy: -77.054932
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -551.591104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.591104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.591104 (E_RNA)
where:
Base-Base interactions energy: -391.365
where: short stacking energy: -154.753
Base-Backbone interact. energy: -0.010
local terms energy: -160.217080
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -24.921
tors. eta vs tors. theta energy: -47.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -542.882068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.882068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.882068 (E_RNA)
where:
Base-Base interactions energy: -393.079
where: short stacking energy: -155.048
Base-Backbone interact. energy: -0.868
local terms energy: -148.934788
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -21.598
tors. eta vs tors. theta energy: -45.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -533.066398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.066398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.066398 (E_RNA)
where:
Base-Base interactions energy: -375.833
where: short stacking energy: -144.138
Base-Backbone interact. energy: -0.241
local terms energy: -156.992450
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -46.984
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: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -524.903696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.903696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.903696 (E_RNA)
where:
Base-Base interactions energy: -374.606
where: short stacking energy: -141.374
Base-Backbone interact. energy: 0.159
local terms energy: -150.456311
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -43.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -509.114272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.114272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.114272 (E_RNA)
where:
Base-Base interactions energy: -366.762
where: short stacking energy: -135.516
Base-Backbone interact. energy: -1.656
local terms energy: -140.696112
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -46.583
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: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -501.653585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.653585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.653585 (E_RNA)
where:
Base-Base interactions energy: -359.594
where: short stacking energy: -133.387
Base-Backbone interact. energy: -0.653
local terms energy: -141.406396
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -42.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -507.089796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.089796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.089796 (E_RNA)
where:
Base-Base interactions energy: -363.994
where: short stacking energy: -144.808
Base-Backbone interact. energy: -0.001
local terms energy: -145.731687
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -43.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.637 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -484.012304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.012304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.012304 (E_RNA)
where:
Base-Base interactions energy: -354.435
where: short stacking energy: -133.275
Base-Backbone interact. energy: -0.022
local terms energy: -129.555315
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -38.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -429.631797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.631797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.631797 (E_RNA)
where:
Base-Base interactions energy: -311.091
where: short stacking energy: -123.718
Base-Backbone interact. energy: -0.033
local terms energy: -118.993545
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -39.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.485 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -129.902633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.902633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.902633 (E_RNA)
where:
Base-Base interactions energy: -48.019
where: short stacking energy: -38.032
Base-Backbone interact. energy: -0.570
local terms energy: -81.312800
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -17.074
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: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -539.685407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.685407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.685407 (E_RNA)
where:
Base-Base interactions energy: -385.758
where: short stacking energy: -147.169
Base-Backbone interact. energy: -0.001
local terms energy: -153.926382
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -43.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -533.148561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.148561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.148561 (E_RNA)
where:
Base-Base interactions energy: -380.928
where: short stacking energy: -146.685
Base-Backbone interact. energy: -0.001
local terms energy: -152.220322
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -42.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -530.175332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.175332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.175332 (E_RNA)
where:
Base-Base interactions energy: -377.027
where: short stacking energy: -145.911
Base-Backbone interact. energy: -0.042
local terms energy: -153.105648
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -47.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -535.144922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.144922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.144922 (E_RNA)
where:
Base-Base interactions energy: -381.170
where: short stacking energy: -145.598
Base-Backbone interact. energy: -0.001
local terms energy: -154.032901
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -48.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.059 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -512.403442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.403442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.403442 (E_RNA)
where:
Base-Base interactions energy: -371.377
where: short stacking energy: -139.896
Base-Backbone interact. energy: -0.163
local terms energy: -141.549904
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -42.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.686 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -497.616699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.616699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.616699 (E_RNA)
where:
Base-Base interactions energy: -355.873
where: short stacking energy: -137.125
Base-Backbone interact. energy: 0.817
local terms energy: -142.560395
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -44.747
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: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -501.149298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.149298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.149298 (E_RNA)
where:
Base-Base interactions energy: -360.218
where: short stacking energy: -141.032
Base-Backbone interact. energy: -0.000
local terms energy: -141.342206
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -45.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.412 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -435.176243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.176243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.176243 (E_RNA)
where:
Base-Base interactions energy: -314.109
where: short stacking energy: -119.289
Base-Backbone interact. energy: -0.110
local terms energy: -122.781456
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -37.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.824 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -473.495536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.495536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.495536 (E_RNA)
where:
Base-Base interactions energy: -355.070
where: short stacking energy: -134.420
Base-Backbone interact. energy: -0.015
local terms energy: -118.411242
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -42.293
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: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -136.730317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.730317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.730317 (E_RNA)
where:
Base-Base interactions energy: -56.650
where: short stacking energy: -46.373
Base-Backbone interact. energy: 0.940
local terms energy: -81.019466
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -5.681
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: 202
Temperature: 0.900000
Total energy: -542.019047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.019047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.019047 (E_RNA)
where:
Base-Base interactions energy: -390.485
where: short stacking energy: -154.953
Base-Backbone interact. energy: -0.063
local terms energy: -151.471072
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -31.520
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -46.377
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: 202
Temperature: 0.950000
Total energy: -539.253974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.253974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.253974 (E_RNA)
where:
Base-Base interactions energy: -385.595
where: short stacking energy: -152.569
Base-Backbone interact. energy: -0.004
local terms energy: -153.931950
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -26.694
tors. eta vs tors. theta energy: -48.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.278 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -520.721216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.721216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.721216 (E_RNA)
where:
Base-Base interactions energy: -376.425
where: short stacking energy: -147.482
Base-Backbone interact. energy: -0.021
local terms energy: -144.275397
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -44.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -533.822581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.822581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.822581 (E_RNA)
where:
Base-Base interactions energy: -375.789
where: short stacking energy: -141.549
Base-Backbone interact. energy: -0.001
local terms energy: -158.032552
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -29.195
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -44.847
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: 202
Temperature: 1.100000
Total energy: -524.593452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.593452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.593452 (E_RNA)
where:
Base-Base interactions energy: -370.095
where: short stacking energy: -148.569
Base-Backbone interact. energy: -0.415
local terms energy: -154.155558
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.072 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -509.158897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.158897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.158897 (E_RNA)
where:
Base-Base interactions energy: -382.356
where: short stacking energy: -140.082
Base-Backbone interact. energy: -0.090
local terms energy: -127.652001
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.939 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -504.073800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.073800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.073800 (E_RNA)
where:
Base-Base interactions energy: -368.338
where: short stacking energy: -139.954
Base-Backbone interact. energy: -0.001
local terms energy: -135.883122
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -45.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.149 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -414.539892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.539892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.539892 (E_RNA)
where:
Base-Base interactions energy: -295.213
where: short stacking energy: -119.558
Base-Backbone interact. energy: -0.048
local terms energy: -119.278306
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -34.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -457.408086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.408086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.408086 (E_RNA)
where:
Base-Base interactions energy: -334.112
where: short stacking energy: -126.977
Base-Backbone interact. energy: -0.209
local terms energy: -123.087406
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -40.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -118.540956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.540956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.540956 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -41.684
Base-Backbone interact. energy: 3.692
local terms energy: -80.359067
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -20.022
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: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -543.232015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.232015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.232015 (E_RNA)
where:
Base-Base interactions energy: -390.855
where: short stacking energy: -143.076
Base-Backbone interact. energy: -0.005
local terms energy: -152.372773
where:
bonds (distance) C4'-P energy: -26.771
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -47.767
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: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -539.954987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.954987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.954987 (E_RNA)
where:
Base-Base interactions energy: -389.628
where: short stacking energy: -150.540
Base-Backbone interact. energy: -0.005
local terms energy: -150.322014
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -45.038
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: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -529.208850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.208850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.208850 (E_RNA)
where:
Base-Base interactions energy: -380.278
where: short stacking energy: -149.121
Base-Backbone interact. energy: -0.006
local terms energy: -148.924288
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -532.891772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.891772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.891772 (E_RNA)
where:
Base-Base interactions energy: -385.110
where: short stacking energy: -156.604
Base-Backbone interact. energy: -0.003
local terms energy: -147.779183
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -49.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -521.757352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.757352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.757352 (E_RNA)
where:
Base-Base interactions energy: -376.108
where: short stacking energy: -146.839
Base-Backbone interact. energy: -0.588
local terms energy: -145.061149
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -46.106
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -499.355035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.355035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.355035 (E_RNA)
where:
Base-Base interactions energy: -358.450
where: short stacking energy: -138.244
Base-Backbone interact. energy: 0.069
local terms energy: -140.974706
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -43.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -492.690651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.690651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.690651 (E_RNA)
where:
Base-Base interactions energy: -360.613
where: short stacking energy: -142.428
Base-Backbone interact. energy: -0.014
local terms energy: -132.204391
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -45.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.141 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -495.754860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.754860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.754860 (E_RNA)
where:
Base-Base interactions energy: -363.155
where: short stacking energy: -139.301
Base-Backbone interact. energy: -0.295
local terms energy: -132.304356
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -45.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -393.323778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.323778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.323778 (E_RNA)
where:
Base-Base interactions energy: -276.894
where: short stacking energy: -110.106
Base-Backbone interact. energy: -0.183
local terms energy: -116.246160
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -30.166
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: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -145.519237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.519237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.519237 (E_RNA)
where:
Base-Base interactions energy: -51.256
where: short stacking energy: -46.513
Base-Backbone interact. energy: 3.146
local terms energy: -97.409228
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -557.268185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.268185 (E_RNA)
where:
Base-Base interactions energy: -397.065
where: short stacking energy: -152.736
Base-Backbone interact. energy: -0.001
local terms energy: -160.202399
where:
bonds (distance) C4'-P energy: -30.604
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -47.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -541.447015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.447015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.447015 (E_RNA)
where:
Base-Base interactions energy: -390.529
where: short stacking energy: -149.091
Base-Backbone interact. energy: -0.002
local terms energy: -151.084906
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -50.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.170 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -534.140997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.140997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.140997 (E_RNA)
where:
Base-Base interactions energy: -374.456
where: short stacking energy: -145.376
Base-Backbone interact. energy: -0.021
local terms energy: -159.663784
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -46.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -533.951134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.951134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.951134 (E_RNA)
where:
Base-Base interactions energy: -384.721
where: short stacking energy: -148.528
Base-Backbone interact. energy: -0.004
local terms energy: -149.226133
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -45.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -524.328772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.328772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.328772 (E_RNA)
where:
Base-Base interactions energy: -386.297
where: short stacking energy: -149.618
Base-Backbone interact. energy: -0.004
local terms energy: -138.027622
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -41.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -509.434632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.434632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.434632 (E_RNA)
where:
Base-Base interactions energy: -368.307
where: short stacking energy: -139.847
Base-Backbone interact. energy: -0.002
local terms energy: -141.125496
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -46.805
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: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -506.893000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.893000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.893000 (E_RNA)
where:
Base-Base interactions energy: -356.146
where: short stacking energy: -138.095
Base-Backbone interact. energy: 0.116
local terms energy: -150.863382
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -32.557
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -45.790
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: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -465.784098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.784098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.784098 (E_RNA)
where:
Base-Base interactions energy: -336.186
where: short stacking energy: -129.314
Base-Backbone interact. energy: -0.636
local terms energy: -129.789212
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -39.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.827 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -391.819124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.819124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.819124 (E_RNA)
where:
Base-Base interactions energy: -281.655
where: short stacking energy: -110.551
Base-Backbone interact. energy: -0.815
local terms energy: -109.349841
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -121.388536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.388536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.388536 (E_RNA)
where:
Base-Base interactions energy: -49.401
where: short stacking energy: -29.708
Base-Backbone interact. energy: 0.592
local terms energy: -72.579530
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: 9.883
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: 205
Temperature: 0.900000
Total energy: -542.883531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.883531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.883531 (E_RNA)
where:
Base-Base interactions energy: -393.004
where: short stacking energy: -151.876
Base-Backbone interact. energy: -0.000
local terms energy: -149.878881
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -45.481
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: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -546.157115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.157115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.157115 (E_RNA)
where:
Base-Base interactions energy: -390.462
where: short stacking energy: -149.493
Base-Backbone interact. energy: -0.001
local terms energy: -155.694287
where:
bonds (distance) C4'-P energy: -25.147
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -48.185
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: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -537.827418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.827418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.827418 (E_RNA)
where:
Base-Base interactions energy: -381.853
where: short stacking energy: -144.151
Base-Backbone interact. energy: -0.002
local terms energy: -155.972887
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -48.976
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: 205
Temperature: 1.050000
Total energy: -524.071545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.071545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.071545 (E_RNA)
where:
Base-Base interactions energy: -373.811
where: short stacking energy: -140.856
Base-Backbone interact. energy: -0.019
local terms energy: -150.241287
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -44.137
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: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -515.379272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.379272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.379272 (E_RNA)
where:
Base-Base interactions energy: -377.105
where: short stacking energy: -143.219
Base-Backbone interact. energy: -0.002
local terms energy: -138.272744
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -41.859
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: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -511.027532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.027532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.027532 (E_RNA)
where:
Base-Base interactions energy: -371.051
where: short stacking energy: -143.258
Base-Backbone interact. energy: -0.002
local terms energy: -139.974325
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -46.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -498.651834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.651834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.651834 (E_RNA)
where:
Base-Base interactions energy: -354.952
where: short stacking energy: -138.079
Base-Backbone interact. energy: -0.021
local terms energy: -143.678690
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -45.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -487.421002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.421002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.421002 (E_RNA)
where:
Base-Base interactions energy: -354.084
where: short stacking energy: -137.070
Base-Backbone interact. energy: -0.010
local terms energy: -133.481299
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -44.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.154 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -377.706373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.706373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.706373 (E_RNA)
where:
Base-Base interactions energy: -261.854
where: short stacking energy: -109.447
Base-Backbone interact. energy: -0.223
local terms energy: -115.628869
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -27.717
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: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -127.344694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.344694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.344694 (E_RNA)
where:
Base-Base interactions energy: -48.870
where: short stacking energy: -33.448
Base-Backbone interact. energy: -1.219
local terms energy: -77.255819
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -2.019
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: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -552.834533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.834533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.834533 (E_RNA)
where:
Base-Base interactions energy: -397.351
where: short stacking energy: -155.097
Base-Backbone interact. energy: -0.002
local terms energy: -155.481625
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -27.981
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -48.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -528.054203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.054203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.054203 (E_RNA)
where:
Base-Base interactions energy: -385.211
where: short stacking energy: -147.029
Base-Backbone interact. energy: -0.106
local terms energy: -142.736969
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -44.146
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: 206
Temperature: 1.000000
Total energy: -540.784266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.784266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.784266 (E_RNA)
where:
Base-Base interactions energy: -388.014
where: short stacking energy: -152.303
Base-Backbone interact. energy: -0.281
local terms energy: -152.489816
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -30.587
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -46.182
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: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -528.856352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.856352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.856352 (E_RNA)
where:
Base-Base interactions energy: -376.813
where: short stacking energy: -145.207
Base-Backbone interact. energy: -0.039
local terms energy: -152.004175
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -45.815
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: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -529.220220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.220220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.220220 (E_RNA)
where:
Base-Base interactions energy: -377.281
where: short stacking energy: -142.243
Base-Backbone interact. energy: -0.010
local terms energy: -151.929041
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -27.843
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -45.981
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -513.626931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.626931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.626931 (E_RNA)
where:
Base-Base interactions energy: -374.268
where: short stacking energy: -144.632
Base-Backbone interact. energy: -0.163
local terms energy: -142.077356
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.881 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -502.543754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.543754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.543754 (E_RNA)
where:
Base-Base interactions energy: -370.680
where: short stacking energy: -142.297
Base-Backbone interact. energy: -0.002
local terms energy: -131.861506
where:
bonds (distance) C4'-P energy: -21.972
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -41.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -455.721995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.721995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.721995 (E_RNA)
where:
Base-Base interactions energy: -328.856
where: short stacking energy: -131.485
Base-Backbone interact. energy: -0.081
local terms energy: -126.784582
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -42.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -387.056054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.056054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.056054 (E_RNA)
where:
Base-Base interactions energy: -271.236
where: short stacking energy: -100.638
Base-Backbone interact. energy: -1.191
local terms energy: -114.629380
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -32.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -117.469792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.469792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.469792 (E_RNA)
where:
Base-Base interactions energy: -43.026
where: short stacking energy: -41.387
Base-Backbone interact. energy: 1.624
local terms energy: -76.067618
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: 5.293
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: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -553.089531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.089531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.089531 (E_RNA)
where:
Base-Base interactions energy: -392.177
where: short stacking energy: -148.601
Base-Backbone interact. energy: -0.019
local terms energy: -160.893478
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -28.594
flat angles C4'-P-C4' energy: -33.601
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -46.904
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: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -530.134556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.134556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.134556 (E_RNA)
where:
Base-Base interactions energy: -391.491
where: short stacking energy: -149.850
Base-Backbone interact. energy: -0.002
local terms energy: -139.290851
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.649 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -526.864342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.864342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.864342 (E_RNA)
where:
Base-Base interactions energy: -383.949
where: short stacking energy: -149.805
Base-Backbone interact. energy: -0.003
local terms energy: -143.463851
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -47.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.551 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -522.628522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.628522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.628522 (E_RNA)
where:
Base-Base interactions energy: -378.486
where: short stacking energy: -147.797
Base-Backbone interact. energy: -0.001
local terms energy: -144.141984
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -44.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -522.302061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.302061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.302061 (E_RNA)
where:
Base-Base interactions energy: -368.423
where: short stacking energy: -140.713
Base-Backbone interact. energy: -0.002
local terms energy: -154.068501
where:
bonds (distance) C4'-P energy: -28.361
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -46.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.192 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -496.388122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.388122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.388122 (E_RNA)
where:
Base-Base interactions energy: -360.825
where: short stacking energy: -137.468
Base-Backbone interact. energy: 0.017
local terms energy: -135.821243
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -46.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -493.152899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.152899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.152899 (E_RNA)
where:
Base-Base interactions energy: -352.374
where: short stacking energy: -129.834
Base-Backbone interact. energy: -0.001
local terms energy: -140.777798
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -42.557
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: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -494.369139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.369139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.369139 (E_RNA)
where:
Base-Base interactions energy: -361.767
where: short stacking energy: -142.179
Base-Backbone interact. energy: -0.041
local terms energy: -132.561151
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -45.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -402.129130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.129130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.129130 (E_RNA)
where:
Base-Base interactions energy: -283.518
where: short stacking energy: -119.874
Base-Backbone interact. energy: -0.060
local terms energy: -118.551024
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -26.712
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: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -124.235361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.235361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.235361 (E_RNA)
where:
Base-Base interactions energy: -50.322
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.916
local terms energy: -73.238270
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -539.670653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.670653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.670653 (E_RNA)
where:
Base-Base interactions energy: -388.078
where: short stacking energy: -155.238
Base-Backbone interact. energy: -0.215
local terms energy: -151.662730
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -26.463
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -45.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.286 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -540.240869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.240869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.240869 (E_RNA)
where:
Base-Base interactions energy: -379.945
where: short stacking energy: -153.774
Base-Backbone interact. energy: -0.012
local terms energy: -160.284700
where:
bonds (distance) C4'-P energy: -25.544
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -32.454
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -529.368288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.368288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.368288 (E_RNA)
where:
Base-Base interactions energy: -385.169
where: short stacking energy: -140.122
Base-Backbone interact. energy: -0.045
local terms energy: -144.154366
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -43.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -528.511868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.511868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.511868 (E_RNA)
where:
Base-Base interactions energy: -375.461
where: short stacking energy: -142.886
Base-Backbone interact. energy: -0.322
local terms energy: -152.729814
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -29.764
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -43.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -517.301878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.301878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.301878 (E_RNA)
where:
Base-Base interactions energy: -373.453
where: short stacking energy: -144.471
Base-Backbone interact. energy: -0.001
local terms energy: -143.847673
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -43.931
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: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -505.911639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.911639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.911639 (E_RNA)
where:
Base-Base interactions energy: -368.244
where: short stacking energy: -141.872
Base-Backbone interact. energy: -0.049
local terms energy: -137.618681
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -42.857
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: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -500.819979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.819979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.819979 (E_RNA)
where:
Base-Base interactions energy: -355.101
where: short stacking energy: -138.332
Base-Backbone interact. energy: -0.001
local terms energy: -145.718424
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -31.626
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -47.639
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: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -485.565277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.565277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.565277 (E_RNA)
where:
Base-Base interactions energy: -345.635
where: short stacking energy: -129.925
Base-Backbone interact. energy: -0.219
local terms energy: -139.710611
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -46.997
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: 208
Temperature: 1.300000
Total energy: -396.974961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.974961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.974961 (E_RNA)
where:
Base-Base interactions energy: -281.628
where: short stacking energy: -107.210
Base-Backbone interact. energy: -0.373
local terms energy: -114.973302
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -131.152408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.152408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.152408 (E_RNA)
where:
Base-Base interactions energy: -60.668
where: short stacking energy: -38.031
Base-Backbone interact. energy: 1.819
local terms energy: -72.303649
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: 5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -540.287671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.287671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.287671 (E_RNA)
where:
Base-Base interactions energy: -391.672
where: short stacking energy: -154.731
Base-Backbone interact. energy: -0.000
local terms energy: -148.993158
where:
bonds (distance) C4'-P energy: -26.080
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -46.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.378 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -547.944037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.944037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.944037 (E_RNA)
where:
Base-Base interactions energy: -391.657
where: short stacking energy: -149.557
Base-Backbone interact. energy: -0.006
local terms energy: -156.280645
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -46.583
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: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -532.659702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.659702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.659702 (E_RNA)
where:
Base-Base interactions energy: -385.595
where: short stacking energy: -145.520
Base-Backbone interact. energy: -0.306
local terms energy: -146.758812
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -27.812
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -47.580
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: 209
Temperature: 1.050000
Total energy: -523.373868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.373868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.373868 (E_RNA)
where:
Base-Base interactions energy: -381.307
where: short stacking energy: -145.936
Base-Backbone interact. energy: -0.008
local terms energy: -142.058989
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -47.027
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: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -496.616857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.616857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.616857 (E_RNA)
where:
Base-Base interactions energy: -358.276
where: short stacking energy: -138.492
Base-Backbone interact. energy: -0.003
local terms energy: -138.337817
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -39.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -501.564781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.564781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.564781 (E_RNA)
where:
Base-Base interactions energy: -356.762
where: short stacking energy: -134.386
Base-Backbone interact. energy: -0.002
local terms energy: -144.800375
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: -43.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -511.126018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.126018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.126018 (E_RNA)
where:
Base-Base interactions energy: -368.294
where: short stacking energy: -141.023
Base-Backbone interact. energy: -0.467
local terms energy: -142.365430
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -45.710
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: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -465.330543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.330543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.330543 (E_RNA)
where:
Base-Base interactions energy: -334.256
where: short stacking energy: -120.700
Base-Backbone interact. energy: -0.010
local terms energy: -131.064592
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -38.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -416.265245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.265245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.265245 (E_RNA)
where:
Base-Base interactions energy: -287.003
where: short stacking energy: -118.648
Base-Backbone interact. energy: -0.222
local terms energy: -129.040147
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -32.500
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: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -113.987648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.987648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.987648 (E_RNA)
where:
Base-Base interactions energy: -48.023
where: short stacking energy: -32.067
Base-Backbone interact. energy: -0.632
local terms energy: -65.796109
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -9.916
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: 0.463 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -547.372259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.372259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.372259 (E_RNA)
where:
Base-Base interactions energy: -392.014
where: short stacking energy: -149.636
Base-Backbone interact. energy: -0.001
local terms energy: -155.357421
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -29.007
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -46.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -539.406562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.406562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.406562 (E_RNA)
where:
Base-Base interactions energy: -386.391
where: short stacking energy: -141.199
Base-Backbone interact. energy: -0.001
local terms energy: -155.263167
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.249 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -535.349047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.349047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.349047 (E_RNA)
where:
Base-Base interactions energy: -377.808
where: short stacking energy: -147.060
Base-Backbone interact. energy: -0.148
local terms energy: -157.392736
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -46.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -515.670632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.670632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.670632 (E_RNA)
where:
Base-Base interactions energy: -372.784
where: short stacking energy: -137.981
Base-Backbone interact. energy: -0.175
local terms energy: -142.712115
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -29.835
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -43.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -517.417117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.417117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.417117 (E_RNA)
where:
Base-Base interactions energy: -381.902
where: short stacking energy: -143.232
Base-Backbone interact. energy: -0.001
local terms energy: -135.975888
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -44.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.462 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -514.744997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.744997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.744997 (E_RNA)
where:
Base-Base interactions energy: -364.950
where: short stacking energy: -141.344
Base-Backbone interact. energy: -0.001
local terms energy: -149.793600
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -43.033
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: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -508.918617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.918617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.918617 (E_RNA)
where:
Base-Base interactions energy: -360.214
where: short stacking energy: -145.215
Base-Backbone interact. energy: -0.135
local terms energy: -148.570101
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -48.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -478.937646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.937646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.937646 (E_RNA)
where:
Base-Base interactions energy: -349.468
where: short stacking energy: -137.306
Base-Backbone interact. energy: -0.014
local terms energy: -129.455642
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -26.231
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -41.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -419.033913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.033913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.033913 (E_RNA)
where:
Base-Base interactions energy: -293.293
where: short stacking energy: -124.672
Base-Backbone interact. energy: -0.007
local terms energy: -125.733788
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -38.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -119.468208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.468208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.468208 (E_RNA)
where:
Base-Base interactions energy: -45.512
where: short stacking energy: -36.513
Base-Backbone interact. energy: 0.707
local terms energy: -74.663351
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: 6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -549.523050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.523050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.523050 (E_RNA)
where:
Base-Base interactions energy: -400.102
where: short stacking energy: -158.641
Base-Backbone interact. energy: -0.001
local terms energy: -149.420667
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -26.559
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -47.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -542.203607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.203607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.203607 (E_RNA)
where:
Base-Base interactions energy: -390.699
where: short stacking energy: -150.184
Base-Backbone interact. energy: -0.003
local terms energy: -151.501654
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -536.311801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.311801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.311801 (E_RNA)
where:
Base-Base interactions energy: -384.121
where: short stacking energy: -151.755
Base-Backbone interact. energy: -0.002
local terms energy: -152.189424
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -34.165
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -45.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -521.036613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.036613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.036613 (E_RNA)
where:
Base-Base interactions energy: -379.386
where: short stacking energy: -143.302
Base-Backbone interact. energy: -0.212
local terms energy: -141.438837
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -44.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -514.275679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.275679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.275679 (E_RNA)
where:
Base-Base interactions energy: -380.726
where: short stacking energy: -141.997
Base-Backbone interact. energy: -0.042
local terms energy: -133.508017
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -43.105
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: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -514.152556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.152556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.152556 (E_RNA)
where:
Base-Base interactions energy: -368.099
where: short stacking energy: -144.021
Base-Backbone interact. energy: -0.000
local terms energy: -146.053314
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -29.952
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -47.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -513.423094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.423094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.423094 (E_RNA)
where:
Base-Base interactions energy: -373.730
where: short stacking energy: -139.967
Base-Backbone interact. energy: -0.002
local terms energy: -139.691261
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -44.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -496.492747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.492747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.492747 (E_RNA)
where:
Base-Base interactions energy: -370.949
where: short stacking energy: -139.508
Base-Backbone interact. energy: -0.022
local terms energy: -125.522304
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -42.387
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: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -406.209197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.209197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.209197 (E_RNA)
where:
Base-Base interactions energy: -291.342
where: short stacking energy: -112.415
Base-Backbone interact. energy: 0.580
local terms energy: -115.447173
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -27.010
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -120.747430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.747430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.747430 (E_RNA)
where:
Base-Base interactions energy: -42.137
where: short stacking energy: -22.245
Base-Backbone interact. energy: -0.369
local terms energy: -78.242258
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: 3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -549.032340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.032340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.032340 (E_RNA)
where:
Base-Base interactions energy: -391.715
where: short stacking energy: -153.444
Base-Backbone interact. energy: -0.069
local terms energy: -157.248566
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -44.302
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: 212
Temperature: 0.950000
Total energy: -532.967709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.967709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.967709 (E_RNA)
where:
Base-Base interactions energy: -377.507
where: short stacking energy: -146.989
Base-Backbone interact. energy: -0.001
local terms energy: -155.459391
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -27.404
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -48.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -538.977156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.977156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.977156 (E_RNA)
where:
Base-Base interactions energy: -389.971
where: short stacking energy: -147.053
Base-Backbone interact. energy: -0.045
local terms energy: -148.960753
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -48.806
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: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -511.459672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.459672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.459672 (E_RNA)
where:
Base-Base interactions energy: -365.627
where: short stacking energy: -144.150
Base-Backbone interact. energy: -0.008
local terms energy: -145.825205
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -519.413834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.413834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.413834 (E_RNA)
where:
Base-Base interactions energy: -375.186
where: short stacking energy: -143.000
Base-Backbone interact. energy: -0.002
local terms energy: -144.225821
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -44.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -512.569435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.569435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.569435 (E_RNA)
where:
Base-Base interactions energy: -372.342
where: short stacking energy: -150.397
Base-Backbone interact. energy: -0.043
local terms energy: -140.184904
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -46.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -484.690939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.690939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.690939 (E_RNA)
where:
Base-Base interactions energy: -354.566
where: short stacking energy: -137.647
Base-Backbone interact. energy: -0.003
local terms energy: -130.121850
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -42.970
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: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -493.459933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.459933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.459933 (E_RNA)
where:
Base-Base interactions energy: -356.721
where: short stacking energy: -139.957
Base-Backbone interact. energy: -0.004
local terms energy: -136.735047
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -43.441
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: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -423.038539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.038539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.038539 (E_RNA)
where:
Base-Base interactions energy: -299.984
where: short stacking energy: -119.756
Base-Backbone interact. energy: 1.832
local terms energy: -124.886398
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -37.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -110.549809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.549809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.549809 (E_RNA)
where:
Base-Base interactions energy: -40.748
where: short stacking energy: -26.574
Base-Backbone interact. energy: -0.389
local terms energy: -69.412282
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -10.120
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: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -546.319205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.319205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.319205 (E_RNA)
where:
Base-Base interactions energy: -391.088
where: short stacking energy: -149.974
Base-Backbone interact. energy: -0.004
local terms energy: -155.228085
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -30.637
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -47.770
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -547.042056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.042056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.042056 (E_RNA)
where:
Base-Base interactions energy: -395.573
where: short stacking energy: -157.848
Base-Backbone interact. energy: -0.001
local terms energy: -151.468478
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -47.238
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: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -525.869454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.869454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.869454 (E_RNA)
where:
Base-Base interactions energy: -382.450
where: short stacking energy: -146.027
Base-Backbone interact. energy: -0.002
local terms energy: -143.417328
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -21.273
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -526.759648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.759648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.759648 (E_RNA)
where:
Base-Base interactions energy: -378.368
where: short stacking energy: -141.927
Base-Backbone interact. energy: -0.000
local terms energy: -148.391155
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -45.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -515.375433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.375433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.375433 (E_RNA)
where:
Base-Base interactions energy: -366.358
where: short stacking energy: -145.499
Base-Backbone interact. energy: -0.135
local terms energy: -148.882398
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -45.062
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: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -499.630713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.630713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.630713 (E_RNA)
where:
Base-Base interactions energy: -355.372
where: short stacking energy: -132.861
Base-Backbone interact. energy: -0.059
local terms energy: -144.199908
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -495.766846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.766846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.766846 (E_RNA)
where:
Base-Base interactions energy: -360.030
where: short stacking energy: -138.239
Base-Backbone interact. energy: -0.576
local terms energy: -135.160875
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -45.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -478.249247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.249247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.249247 (E_RNA)
where:
Base-Base interactions energy: -343.893
where: short stacking energy: -129.211
Base-Backbone interact. energy: -0.046
local terms energy: -134.310376
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -39.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -409.156241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.156241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.156241 (E_RNA)
where:
Base-Base interactions energy: -292.451
where: short stacking energy: -111.841
Base-Backbone interact. energy: 0.978
local terms energy: -118.614055
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -34.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.931 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -138.457073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.457073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.457073 (E_RNA)
where:
Base-Base interactions energy: -47.451
where: short stacking energy: -43.759
Base-Backbone interact. energy: -0.918
local terms energy: -90.087676
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -17.902
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: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -548.050879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.050879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.050879 (E_RNA)
where:
Base-Base interactions energy: -393.066
where: short stacking energy: -151.312
Base-Backbone interact. energy: -0.000
local terms energy: -154.984859
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -49.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -542.023728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.023728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.023728 (E_RNA)
where:
Base-Base interactions energy: -390.392
where: short stacking energy: -152.458
Base-Backbone interact. energy: -0.018
local terms energy: -151.613507
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -46.796
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: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -540.790649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.790649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.790649 (E_RNA)
where:
Base-Base interactions energy: -390.982
where: short stacking energy: -147.540
Base-Backbone interact. energy: -0.055
local terms energy: -149.782760
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -43.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -524.321990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.321990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.321990 (E_RNA)
where:
Base-Base interactions energy: -382.210
where: short stacking energy: -145.020
Base-Backbone interact. energy: -0.003
local terms energy: -142.109172
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -46.539
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: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -499.575108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.575108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.575108 (E_RNA)
where:
Base-Base interactions energy: -363.027
where: short stacking energy: -142.810
Base-Backbone interact. energy: 2.264
local terms energy: -138.812142
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -40.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -513.326616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.326616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.326616 (E_RNA)
where:
Base-Base interactions energy: -371.182
where: short stacking energy: -139.888
Base-Backbone interact. energy: -0.006
local terms energy: -142.257535
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -45.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.119 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -495.116634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.116634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.116634 (E_RNA)
where:
Base-Base interactions energy: -355.190
where: short stacking energy: -137.593
Base-Backbone interact. energy: -0.094
local terms energy: -139.833368
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -43.039
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -481.682356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.682356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.682356 (E_RNA)
where:
Base-Base interactions energy: -355.697
where: short stacking energy: -136.573
Base-Backbone interact. energy: -0.088
local terms energy: -126.041785
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.144 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -424.501570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.501570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.501570 (E_RNA)
where:
Base-Base interactions energy: -296.961
where: short stacking energy: -119.587
Base-Backbone interact. energy: -1.058
local terms energy: -126.483220
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -32.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -114.011240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.011240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.011240 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -33.759
Base-Backbone interact. energy: -1.216
local terms energy: -75.092401
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -545.719962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.719962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.719962 (E_RNA)
where:
Base-Base interactions energy: -387.015
where: short stacking energy: -149.182
Base-Backbone interact. energy: -0.000
local terms energy: -158.704689
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -48.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -546.405656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.405656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.405656 (E_RNA)
where:
Base-Base interactions energy: -382.394
where: short stacking energy: -150.407
Base-Backbone interact. energy: -0.006
local terms energy: -164.005412
where:
bonds (distance) C4'-P energy: -31.319
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -49.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -537.927466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.927466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.927466 (E_RNA)
where:
Base-Base interactions energy: -381.732
where: short stacking energy: -150.456
Base-Backbone interact. energy: -0.006
local terms energy: -156.189635
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -21.982
tors. eta vs tors. theta energy: -49.580
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: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -525.225224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.225224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.225224 (E_RNA)
where:
Base-Base interactions energy: -377.570
where: short stacking energy: -144.971
Base-Backbone interact. energy: -0.001
local terms energy: -147.654782
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -47.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -500.908246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.908246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.908246 (E_RNA)
where:
Base-Base interactions energy: -364.842
where: short stacking energy: -144.145
Base-Backbone interact. energy: -0.673
local terms energy: -135.392417
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -518.032507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.032507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.032507 (E_RNA)
where:
Base-Base interactions energy: -370.915
where: short stacking energy: -139.921
Base-Backbone interact. energy: -0.001
local terms energy: -147.116762
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -28.903
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -43.491
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: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -488.235068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.235068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.235068 (E_RNA)
where:
Base-Base interactions energy: -363.631
where: short stacking energy: -144.574
Base-Backbone interact. energy: -0.122
local terms energy: -127.285148
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -40.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.804 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -482.366274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.366274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.366274 (E_RNA)
where:
Base-Base interactions energy: -360.008
where: short stacking energy: -132.854
Base-Backbone interact. energy: -0.214
local terms energy: -122.144562
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -40.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -418.007479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.007479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.007479 (E_RNA)
where:
Base-Base interactions energy: -301.029
where: short stacking energy: -110.621
Base-Backbone interact. energy: -0.513
local terms energy: -116.465986
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -33.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -111.641625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.641625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.641625 (E_RNA)
where:
Base-Base interactions energy: -34.953
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.764
local terms energy: -76.245497
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.321 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -546.105418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.105418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.105418 (E_RNA)
where:
Base-Base interactions energy: -396.835
where: short stacking energy: -155.257
Base-Backbone interact. energy: -0.042
local terms energy: -149.228892
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -48.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -544.741070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.741070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.741070 (E_RNA)
where:
Base-Base interactions energy: -398.112
where: short stacking energy: -154.297
Base-Backbone interact. energy: -0.001
local terms energy: -149.378040
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -46.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.750 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -536.736729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.736729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.736729 (E_RNA)
where:
Base-Base interactions energy: -381.365
where: short stacking energy: -145.864
Base-Backbone interact. energy: -0.470
local terms energy: -154.901168
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -29.569
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -47.083
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: 216
Temperature: 1.050000
Total energy: -527.671453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.671453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.671453 (E_RNA)
where:
Base-Base interactions energy: -383.814
where: short stacking energy: -148.397
Base-Backbone interact. energy: -0.034
local terms energy: -143.823249
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -46.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -518.087114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.087114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.087114 (E_RNA)
where:
Base-Base interactions energy: -377.909
where: short stacking energy: -146.645
Base-Backbone interact. energy: -0.001
local terms energy: -140.177306
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -46.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -501.510494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.510494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.510494 (E_RNA)
where:
Base-Base interactions energy: -377.986
where: short stacking energy: -145.682
Base-Backbone interact. energy: -0.005
local terms energy: -123.519327
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -43.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -495.548040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.548040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.548040 (E_RNA)
where:
Base-Base interactions energy: -365.017
where: short stacking energy: -139.836
Base-Backbone interact. energy: -0.091
local terms energy: -132.137986
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -41.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.698 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -471.647291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.647291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.647291 (E_RNA)
where:
Base-Base interactions energy: -339.443
where: short stacking energy: -136.347
Base-Backbone interact. energy: -0.003
local terms energy: -132.201288
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -43.458
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: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -406.545804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.545804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.545804 (E_RNA)
where:
Base-Base interactions energy: -285.972
where: short stacking energy: -115.385
Base-Backbone interact. energy: -0.556
local terms energy: -120.018257
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -31.706
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: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -133.303551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.303551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.303551 (E_RNA)
where:
Base-Base interactions energy: -55.808
where: short stacking energy: -39.013
Base-Backbone interact. energy: 1.954
local terms energy: -80.777284
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -9.023
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: 1.328 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -556.590177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.590177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.590177 (E_RNA)
where:
Base-Base interactions energy: -394.492
where: short stacking energy: -157.448
Base-Backbone interact. energy: -0.008
local terms energy: -162.380461
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -48.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.290 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -535.793544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.793544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.793544 (E_RNA)
where:
Base-Base interactions energy: -378.277
where: short stacking energy: -147.487
Base-Backbone interact. energy: -0.001
local terms energy: -157.516177
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -531.743054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.743054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.743054 (E_RNA)
where:
Base-Base interactions energy: -381.284
where: short stacking energy: -145.620
Base-Backbone interact. energy: -0.004
local terms energy: -150.975960
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -49.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.521 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -521.898125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.898125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.898125 (E_RNA)
where:
Base-Base interactions energy: -370.526
where: short stacking energy: -139.181
Base-Backbone interact. energy: -0.002
local terms energy: -151.370769
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -31.493
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -45.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -531.514329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.514329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.514329 (E_RNA)
where:
Base-Base interactions energy: -377.061
where: short stacking energy: -148.983
Base-Backbone interact. energy: -0.003
local terms energy: -154.450338
where:
bonds (distance) C4'-P energy: -25.835
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -50.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -509.163685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.163685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.163685 (E_RNA)
where:
Base-Base interactions energy: -372.575
where: short stacking energy: -148.354
Base-Backbone interact. energy: -0.001
local terms energy: -138.390092
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -26.171
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.802 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -490.283137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.283137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.283137 (E_RNA)
where:
Base-Base interactions energy: -348.545
where: short stacking energy: -133.145
Base-Backbone interact. energy: -0.579
local terms energy: -141.159123
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: -42.113
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: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -425.311856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.311856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.311856 (E_RNA)
where:
Base-Base interactions energy: -303.205
where: short stacking energy: -114.350
Base-Backbone interact. energy: -0.242
local terms energy: -121.864429
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -32.684
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: 217
Temperature: 1.300000
Total energy: -404.850200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.850200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.850200 (E_RNA)
where:
Base-Base interactions energy: -284.406
where: short stacking energy: -104.088
Base-Backbone interact. energy: 1.075
local terms energy: -121.519509
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -33.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -123.081769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.081769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.081769 (E_RNA)
where:
Base-Base interactions energy: -52.589
where: short stacking energy: -52.452
Base-Backbone interact. energy: -0.381
local terms energy: -70.112017
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -531.421332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.421332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.421332 (E_RNA)
where:
Base-Base interactions energy: -383.022
where: short stacking energy: -149.693
Base-Backbone interact. energy: -0.000
local terms energy: -148.398814
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -30.425
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -42.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -537.278912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.278912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.278912 (E_RNA)
where:
Base-Base interactions energy: -399.104
where: short stacking energy: -155.631
Base-Backbone interact. energy: -0.086
local terms energy: -138.088506
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -533.776459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.776459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.776459 (E_RNA)
where:
Base-Base interactions energy: -375.426
where: short stacking energy: -147.823
Base-Backbone interact. energy: -0.001
local terms energy: -159.034002
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -31.877
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -47.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.685 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -516.784157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.784157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.784157 (E_RNA)
where:
Base-Base interactions energy: -376.282
where: short stacking energy: -142.185
Base-Backbone interact. energy: -0.020
local terms energy: -140.482263
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -44.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -528.581691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.581691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.581691 (E_RNA)
where:
Base-Base interactions energy: -374.929
where: short stacking energy: -146.487
Base-Backbone interact. energy: -0.576
local terms energy: -153.076949
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -24.252
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -48.062
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: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -508.022470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.022470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.022470 (E_RNA)
where:
Base-Base interactions energy: -368.547
where: short stacking energy: -142.035
Base-Backbone interact. energy: -0.089
local terms energy: -139.865474
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -24.312
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -43.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.478 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -492.789834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.789834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.789834 (E_RNA)
where:
Base-Base interactions energy: -357.450
where: short stacking energy: -136.378
Base-Backbone interact. energy: -0.010
local terms energy: -135.330417
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -42.977
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: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -472.781059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.781059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.781059 (E_RNA)
where:
Base-Base interactions energy: -337.801
where: short stacking energy: -136.057
Base-Backbone interact. energy: -0.004
local terms energy: -134.976090
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -27.600
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -43.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -429.644082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.644082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.644082 (E_RNA)
where:
Base-Base interactions energy: -315.864
where: short stacking energy: -115.216
Base-Backbone interact. energy: -0.044
local terms energy: -114.841869
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -39.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.105 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -136.168985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.168985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.168985 (E_RNA)
where:
Base-Base interactions energy: -63.578
where: short stacking energy: -21.589
Base-Backbone interact. energy: -1.024
local terms energy: -71.567416
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: 1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -541.658608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.658608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.658608 (E_RNA)
where:
Base-Base interactions energy: -388.808
where: short stacking energy: -149.804
Base-Backbone interact. energy: -0.001
local terms energy: -152.850459
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -27.695
flat angles C4'-P-C4' energy: -30.530
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -45.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -539.247417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.247417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.247417 (E_RNA)
where:
Base-Base interactions energy: -375.923
where: short stacking energy: -145.781
Base-Backbone interact. energy: -0.002
local terms energy: -163.560720
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -45.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.238 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -538.232170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.232170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.232170 (E_RNA)
where:
Base-Base interactions energy: -383.352
where: short stacking energy: -149.701
Base-Backbone interact. energy: -0.240
local terms energy: -155.088138
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -45.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.448 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -533.471304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.471304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.471304 (E_RNA)
where:
Base-Base interactions energy: -379.970
where: short stacking energy: -144.043
Base-Backbone interact. energy: -0.024
local terms energy: -154.994000
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -45.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.517 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -516.885801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.885801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.885801 (E_RNA)
where:
Base-Base interactions energy: -374.768
where: short stacking energy: -144.781
Base-Backbone interact. energy: -0.890
local terms energy: -141.226971
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -46.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -504.838187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.838187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.838187 (E_RNA)
where:
Base-Base interactions energy: -375.901
where: short stacking energy: -141.979
Base-Backbone interact. energy: -0.001
local terms energy: -130.306980
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -27.558
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -43.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.370 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -482.786483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.786483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.786483 (E_RNA)
where:
Base-Base interactions energy: -349.456
where: short stacking energy: -136.403
Base-Backbone interact. energy: -0.006
local terms energy: -133.324846
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -41.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -490.140665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.140665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.140665 (E_RNA)
where:
Base-Base interactions energy: -360.840
where: short stacking energy: -137.762
Base-Backbone interact. energy: -0.163
local terms energy: -130.756204
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -44.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.619 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -430.661458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.661458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.661458 (E_RNA)
where:
Base-Base interactions energy: -322.637
where: short stacking energy: -126.791
Base-Backbone interact. energy: -0.310
local terms energy: -107.899998
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -32.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.185 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -110.074575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.074575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.074575 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.189
local terms energy: -72.902478
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -5.249
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: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -537.580049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.580049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.580049 (E_RNA)
where:
Base-Base interactions energy: -390.106
where: short stacking energy: -149.345
Base-Backbone interact. energy: -0.018
local terms energy: -147.455859
where:
bonds (distance) C4'-P energy: -27.798
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -32.353
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -44.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -541.812122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.812122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.812122 (E_RNA)
where:
Base-Base interactions energy: -389.102
where: short stacking energy: -154.189
Base-Backbone interact. energy: -0.079
local terms energy: -152.630969
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -29.915
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -48.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -538.680479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.680479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.680479 (E_RNA)
where:
Base-Base interactions energy: -381.923
where: short stacking energy: -153.425
Base-Backbone interact. energy: -0.003
local terms energy: -156.754360
where:
bonds (distance) C4'-P energy: -27.624
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -47.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -540.093862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.093862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.093862 (E_RNA)
where:
Base-Base interactions energy: -386.932
where: short stacking energy: -153.356
Base-Backbone interact. energy: -0.001
local terms energy: -153.161371
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -46.655
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: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -510.884846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.884846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.884846 (E_RNA)
where:
Base-Base interactions energy: -366.587
where: short stacking energy: -140.427
Base-Backbone interact. energy: -0.057
local terms energy: -144.241200
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -41.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -500.658136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.658136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.658136 (E_RNA)
where:
Base-Base interactions energy: -362.332
where: short stacking energy: -139.909
Base-Backbone interact. energy: -0.003
local terms energy: -138.322634
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -43.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -492.008755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.008755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.008755 (E_RNA)
where:
Base-Base interactions energy: -355.480
where: short stacking energy: -135.724
Base-Backbone interact. energy: -0.232
local terms energy: -137.585360
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -41.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.289 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -483.873227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.873227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.873227 (E_RNA)
where:
Base-Base interactions energy: -353.179
where: short stacking energy: -136.478
Base-Backbone interact. energy: -0.001
local terms energy: -130.692844
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -43.395
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: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -421.486048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.486048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.486048 (E_RNA)
where:
Base-Base interactions energy: -295.324
where: short stacking energy: -122.382
Base-Backbone interact. energy: -0.172
local terms energy: -125.990493
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -36.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -118.638740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.638740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.638740 (E_RNA)
where:
Base-Base interactions energy: -41.312
where: short stacking energy: -35.149
Base-Backbone interact. energy: -0.318
local terms energy: -78.746300
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -5.805
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: 1.738 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -535.728284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.728284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.728284 (E_RNA)
where:
Base-Base interactions energy: -388.231
where: short stacking energy: -150.884
Base-Backbone interact. energy: -0.010
local terms energy: -147.582371
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -46.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.095 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -531.000602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.000602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.000602 (E_RNA)
where:
Base-Base interactions energy: -379.521
where: short stacking energy: -143.347
Base-Backbone interact. energy: -0.011
local terms energy: -151.467804
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -28.169
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -47.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -538.449620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.449620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.449620 (E_RNA)
where:
Base-Base interactions energy: -386.753
where: short stacking energy: -152.187
Base-Backbone interact. energy: -0.017
local terms energy: -151.679364
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: -47.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -516.122230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.122230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.122230 (E_RNA)
where:
Base-Base interactions energy: -383.419
where: short stacking energy: -147.625
Base-Backbone interact. energy: -0.000
local terms energy: -132.702746
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -44.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -534.838590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.838590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.838590 (E_RNA)
where:
Base-Base interactions energy: -376.373
where: short stacking energy: -149.026
Base-Backbone interact. energy: -0.004
local terms energy: -158.919876
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -33.427
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -46.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.458 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -494.927225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.927225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.927225 (E_RNA)
where:
Base-Base interactions energy: -368.378
where: short stacking energy: -139.291
Base-Backbone interact. energy: -0.283
local terms energy: -129.392899
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -30.351
flat angles P-C4'-P energy: -23.522
tors. eta vs tors. theta energy: -47.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.126 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -491.916270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.916270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.916270 (E_RNA)
where:
Base-Base interactions energy: -342.049
where: short stacking energy: -127.310
Base-Backbone interact. energy: -0.093
local terms energy: -149.774667
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -44.504
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: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -487.145891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.145891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.145891 (E_RNA)
where:
Base-Base interactions energy: -359.625
where: short stacking energy: -138.305
Base-Backbone interact. energy: -0.119
local terms energy: -127.402685
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -41.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -417.684736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.684736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.684736 (E_RNA)
where:
Base-Base interactions energy: -298.478
where: short stacking energy: -116.972
Base-Backbone interact. energy: 0.449
local terms energy: -119.655722
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -30.297
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -119.260265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.260265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.260265 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -26.839
Base-Backbone interact. energy: 0.179
local terms energy: -80.810806
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -545.440120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.440120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.440120 (E_RNA)
where:
Base-Base interactions energy: -391.696
where: short stacking energy: -150.476
Base-Backbone interact. energy: -0.003
local terms energy: -153.740867
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -48.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -544.553136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.553136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.553136 (E_RNA)
where:
Base-Base interactions energy: -385.216
where: short stacking energy: -147.634
Base-Backbone interact. energy: -0.001
local terms energy: -159.335855
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -28.228
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -47.863
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: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -531.161789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.161789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.161789 (E_RNA)
where:
Base-Base interactions energy: -385.573
where: short stacking energy: -148.309
Base-Backbone interact. energy: -0.487
local terms energy: -145.101662
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -45.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -529.583074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.583074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.583074 (E_RNA)
where:
Base-Base interactions energy: -381.647
where: short stacking energy: -145.654
Base-Backbone interact. energy: 0.408
local terms energy: -148.344064
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -48.546
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: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -524.972061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.972061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.972061 (E_RNA)
where:
Base-Base interactions energy: -384.955
where: short stacking energy: -147.433
Base-Backbone interact. energy: -0.160
local terms energy: -139.857091
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -45.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -488.173165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.173165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.173165 (E_RNA)
where:
Base-Base interactions energy: -346.815
where: short stacking energy: -128.923
Base-Backbone interact. energy: -0.006
local terms energy: -141.352487
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -40.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -491.786771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.786771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.786771 (E_RNA)
where:
Base-Base interactions energy: -360.609
where: short stacking energy: -133.398
Base-Backbone interact. energy: -0.001
local terms energy: -131.176513
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -38.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -508.436785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.436785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.436785 (E_RNA)
where:
Base-Base interactions energy: -373.037
where: short stacking energy: -147.529
Base-Backbone interact. energy: -0.002
local terms energy: -135.734938
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -43.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.337 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -340.340315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.340315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.340315 (E_RNA)
where:
Base-Base interactions energy: -235.092
where: short stacking energy: -91.257
Base-Backbone interact. energy: -0.192
local terms energy: -105.271289
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -24.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.216 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -131.040872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.040872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.040872 (E_RNA)
where:
Base-Base interactions energy: -47.650
where: short stacking energy: -44.802
Base-Backbone interact. energy: 0.204
local terms energy: -83.594880
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -540.724810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.724810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.724810 (E_RNA)
where:
Base-Base interactions energy: -393.035
where: short stacking energy: -153.784
Base-Backbone interact. energy: -0.000
local terms energy: -147.689707
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -48.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -537.054097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.054097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.054097 (E_RNA)
where:
Base-Base interactions energy: -382.610
where: short stacking energy: -147.424
Base-Backbone interact. energy: -0.004
local terms energy: -154.439695
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -44.303
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: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -529.292733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.292733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.292733 (E_RNA)
where:
Base-Base interactions energy: -384.017
where: short stacking energy: -146.984
Base-Backbone interact. energy: -0.027
local terms energy: -145.395084
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -47.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.147 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -533.337604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.337604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.337604 (E_RNA)
where:
Base-Base interactions energy: -382.977
where: short stacking energy: -145.512
Base-Backbone interact. energy: -0.051
local terms energy: -150.856629
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -45.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.547 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -512.525866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.525866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.525866 (E_RNA)
where:
Base-Base interactions energy: -365.886
where: short stacking energy: -139.041
Base-Backbone interact. energy: -0.000
local terms energy: -147.528443
where:
bonds (distance) C4'-P energy: -28.642
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -43.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.889 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -512.022947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.022947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.022947 (E_RNA)
where:
Base-Base interactions energy: -360.652
where: short stacking energy: -128.678
Base-Backbone interact. energy: -0.022
local terms energy: -152.019977
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -43.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.671 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -484.727051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.727051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.727051 (E_RNA)
where:
Base-Base interactions energy: -350.004
where: short stacking energy: -136.354
Base-Backbone interact. energy: 0.996
local terms energy: -135.718868
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -39.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -501.064844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.064844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.064844 (E_RNA)
where:
Base-Base interactions energy: -363.835
where: short stacking energy: -137.856
Base-Backbone interact. energy: 0.396
local terms energy: -137.626336
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -44.403
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: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -351.461946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.461946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.461946 (E_RNA)
where:
Base-Base interactions energy: -235.962
where: short stacking energy: -84.890
Base-Backbone interact. energy: 0.043
local terms energy: -115.543018
where:
bonds (distance) C4'-P energy: -26.359
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -137.056481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.056481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.056481 (E_RNA)
where:
Base-Base interactions energy: -42.950
where: short stacking energy: -41.032
Base-Backbone interact. energy: 0.959
local terms energy: -95.065621
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -547.901533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.901533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.901533 (E_RNA)
where:
Base-Base interactions energy: -390.070
where: short stacking energy: -152.460
Base-Backbone interact. energy: -0.239
local terms energy: -157.592186
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -47.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -539.611846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.611846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.611846 (E_RNA)
where:
Base-Base interactions energy: -385.443
where: short stacking energy: -148.499
Base-Backbone interact. energy: -0.590
local terms energy: -153.579352
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -47.040
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: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -537.025450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.025450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.025450 (E_RNA)
where:
Base-Base interactions energy: -387.289
where: short stacking energy: -148.928
Base-Backbone interact. energy: -0.001
local terms energy: -149.735217
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -46.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -514.016738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.016738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.016738 (E_RNA)
where:
Base-Base interactions energy: -367.809
where: short stacking energy: -149.183
Base-Backbone interact. energy: -0.001
local terms energy: -146.207396
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -45.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -523.733355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.733355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.733355 (E_RNA)
where:
Base-Base interactions energy: -368.605
where: short stacking energy: -132.969
Base-Backbone interact. energy: -0.771
local terms energy: -154.357265
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: -42.999
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: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -505.035507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.035507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.035507 (E_RNA)
where:
Base-Base interactions energy: -357.210
where: short stacking energy: -137.269
Base-Backbone interact. energy: -0.214
local terms energy: -149.850236
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -26.153
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.239 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -493.824461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.824461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.824461 (E_RNA)
where:
Base-Base interactions energy: -360.448
where: short stacking energy: -139.377
Base-Backbone interact. energy: -0.292
local terms energy: -133.084780
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -482.497578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.497578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.497578 (E_RNA)
where:
Base-Base interactions energy: -343.321
where: short stacking energy: -128.431
Base-Backbone interact. energy: -0.002
local terms energy: -139.174075
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -38.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -362.866343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.866343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.866343 (E_RNA)
where:
Base-Base interactions energy: -254.612
where: short stacking energy: -95.165
Base-Backbone interact. energy: -0.134
local terms energy: -108.120207
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -25.195
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: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -127.517546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.517546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.517546 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -26.637
Base-Backbone interact. energy: -1.250
local terms energy: -86.304708
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -16.867
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: 0.394 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -538.048264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.048264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.048264 (E_RNA)
where:
Base-Base interactions energy: -386.558
where: short stacking energy: -149.982
Base-Backbone interact. energy: -0.001
local terms energy: -151.489782
where:
bonds (distance) C4'-P energy: -28.416
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -45.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -538.737691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.737691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.737691 (E_RNA)
where:
Base-Base interactions energy: -377.468
where: short stacking energy: -143.879
Base-Backbone interact. energy: -0.011
local terms energy: -161.259183
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -48.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -527.007189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.007189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.007189 (E_RNA)
where:
Base-Base interactions energy: -380.873
where: short stacking energy: -142.343
Base-Backbone interact. energy: -0.238
local terms energy: -146.210531
where:
bonds (distance) C4'-P energy: -26.840
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.314 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -505.729537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.729537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.729537 (E_RNA)
where:
Base-Base interactions energy: -361.804
where: short stacking energy: -135.362
Base-Backbone interact. energy: -0.297
local terms energy: -143.628638
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -42.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -513.537693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.537693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.537693 (E_RNA)
where:
Base-Base interactions energy: -360.802
where: short stacking energy: -142.619
Base-Backbone interact. energy: -0.000
local terms energy: -152.890781
where:
bonds (distance) C4'-P energy: -27.023
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -45.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.156 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -500.548528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.548528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.548528 (E_RNA)
where:
Base-Base interactions energy: -366.952
where: short stacking energy: -138.730
Base-Backbone interact. energy: -0.169
local terms energy: -135.177261
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -46.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.749 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -502.193803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.193803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.193803 (E_RNA)
where:
Base-Base interactions energy: -363.933
where: short stacking energy: -144.203
Base-Backbone interact. energy: -0.010
local terms energy: -138.250556
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -482.321969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.321969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.321969 (E_RNA)
where:
Base-Base interactions energy: -348.016
where: short stacking energy: -134.341
Base-Backbone interact. energy: -0.001
local terms energy: -134.305647
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -41.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -417.255248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.255248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.255248 (E_RNA)
where:
Base-Base interactions energy: -291.130
where: short stacking energy: -105.732
Base-Backbone interact. energy: 1.751
local terms energy: -127.876214
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -35.613
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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -122.595706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.595706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.595706 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -26.938
Base-Backbone interact. energy: -0.243
local terms energy: -83.761243
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -549.160857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.160857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.160857 (E_RNA)
where:
Base-Base interactions energy: -388.151
where: short stacking energy: -147.149
Base-Backbone interact. energy: -0.997
local terms energy: -160.013017
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -47.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -548.378855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.378855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.378855 (E_RNA)
where:
Base-Base interactions energy: -393.161
where: short stacking energy: -152.726
Base-Backbone interact. energy: -0.011
local terms energy: -155.207348
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -33.985
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -47.161
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: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -530.981271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.981271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.981271 (E_RNA)
where:
Base-Base interactions energy: -383.829
where: short stacking energy: -152.138
Base-Backbone interact. energy: -0.045
local terms energy: -148.679110
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -45.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.572 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -534.077550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.077550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.077550 (E_RNA)
where:
Base-Base interactions energy: -386.851
where: short stacking energy: -148.346
Base-Backbone interact. energy: -0.009
local terms energy: -147.217602
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -24.859
tors. eta vs tors. theta energy: -46.563
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: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -484.963867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.963867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.963867 (E_RNA)
where:
Base-Base interactions energy: -351.796
where: short stacking energy: -136.309
Base-Backbone interact. energy: -0.001
local terms energy: -136.244948
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -44.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.078 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -513.004429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.004429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.004429 (E_RNA)
where:
Base-Base interactions energy: -376.427
where: short stacking energy: -142.482
Base-Backbone interact. energy: -0.240
local terms energy: -136.337381
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -26.408
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -43.001
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: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -486.953640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.953640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.953640 (E_RNA)
where:
Base-Base interactions energy: -349.870
where: short stacking energy: -130.378
Base-Backbone interact. energy: -0.031
local terms energy: -137.052369
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -42.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -493.537638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.537638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.537638 (E_RNA)
where:
Base-Base interactions energy: -350.933
where: short stacking energy: -139.541
Base-Backbone interact. energy: -0.588
local terms energy: -142.016559
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -45.636
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: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -416.398828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.398828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.398828 (E_RNA)
where:
Base-Base interactions energy: -289.478
where: short stacking energy: -107.334
Base-Backbone interact. energy: 0.652
local terms energy: -127.572456
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -26.767
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -28.485
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: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -118.777311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.777311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.777311 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -35.918
Base-Backbone interact. energy: 0.041
local terms energy: -80.763415
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: 5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.242 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -541.352062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.352062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.352062 (E_RNA)
where:
Base-Base interactions energy: -382.919
where: short stacking energy: -151.815
Base-Backbone interact. energy: -0.002
local terms energy: -158.431250
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -47.985
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: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -544.132376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.132376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.132376 (E_RNA)
where:
Base-Base interactions energy: -391.601
where: short stacking energy: -151.500
Base-Backbone interact. energy: -0.165
local terms energy: -154.182324
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -45.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.816 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -528.334425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.334425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.334425 (E_RNA)
where:
Base-Base interactions energy: -379.478
where: short stacking energy: -143.425
Base-Backbone interact. energy: -0.048
local terms energy: -148.808699
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -29.662
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -47.399
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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -521.310985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.310985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.310985 (E_RNA)
where:
Base-Base interactions energy: -382.089
where: short stacking energy: -144.415
Base-Backbone interact. energy: -0.003
local terms energy: -139.219130
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -43.060
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: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -506.329712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.329712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.329712 (E_RNA)
where:
Base-Base interactions energy: -360.433
where: short stacking energy: -138.444
Base-Backbone interact. energy: -0.126
local terms energy: -148.350970
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -43.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.580 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -504.933808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.933808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.933808 (E_RNA)
where:
Base-Base interactions energy: -372.398
where: short stacking energy: -141.330
Base-Backbone interact. energy: -0.001
local terms energy: -136.469387
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -42.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.935 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -499.167530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.167530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.167530 (E_RNA)
where:
Base-Base interactions energy: -381.164
where: short stacking energy: -146.504
Base-Backbone interact. energy: -0.008
local terms energy: -118.968232
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -43.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.973 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -481.223834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.223834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.223834 (E_RNA)
where:
Base-Base interactions energy: -353.042
where: short stacking energy: -130.044
Base-Backbone interact. energy: -0.002
local terms energy: -128.179854
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -26.528
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -410.207880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.207880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.207880 (E_RNA)
where:
Base-Base interactions energy: -289.123
where: short stacking energy: -113.475
Base-Backbone interact. energy: -0.216
local terms energy: -120.869036
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -36.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -112.448218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.448218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.448218 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -30.468
Base-Backbone interact. energy: -0.987
local terms energy: -75.172816
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: 5.065
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: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -536.817597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.817597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.817597 (E_RNA)
where:
Base-Base interactions energy: -381.290
where: short stacking energy: -150.783
Base-Backbone interact. energy: -0.013
local terms energy: -155.515097
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -33.547
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -43.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -535.512230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.512230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.512230 (E_RNA)
where:
Base-Base interactions energy: -378.277
where: short stacking energy: -143.137
Base-Backbone interact. energy: -0.003
local terms energy: -158.369656
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -32.574
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -45.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.138 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -538.190726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.190726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.190726 (E_RNA)
where:
Base-Base interactions energy: -387.327
where: short stacking energy: -157.339
Base-Backbone interact. energy: -0.014
local terms energy: -150.849342
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -48.088
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: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -513.262715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.262715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.262715 (E_RNA)
where:
Base-Base interactions energy: -359.342
where: short stacking energy: -137.280
Base-Backbone interact. energy: -0.075
local terms energy: -153.845279
where:
bonds (distance) C4'-P energy: -29.126
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -26.526
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -45.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -508.346327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.346327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.346327 (E_RNA)
where:
Base-Base interactions energy: -366.916
where: short stacking energy: -132.445
Base-Backbone interact. energy: -0.001
local terms energy: -141.775676
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -45.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.347 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -511.230400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.230400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.230400 (E_RNA)
where:
Base-Base interactions energy: -371.975
where: short stacking energy: -143.772
Base-Backbone interact. energy: -0.041
local terms energy: -140.324248
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -32.334
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.110 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -494.237898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.237898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.237898 (E_RNA)
where:
Base-Base interactions energy: -365.180
where: short stacking energy: -137.725
Base-Backbone interact. energy: -0.302
local terms energy: -128.755670
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -42.894
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: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -438.252950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.252950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.252950 (E_RNA)
where:
Base-Base interactions energy: -315.339
where: short stacking energy: -122.369
Base-Backbone interact. energy: -0.016
local terms energy: -123.812907
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -36.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.915 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -430.101694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.101694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.101694 (E_RNA)
where:
Base-Base interactions energy: -307.838
where: short stacking energy: -113.070
Base-Backbone interact. energy: -0.236
local terms energy: -122.027347
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -32.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -107.755447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.755447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.755447 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -23.565
Base-Backbone interact. energy: -0.339
local terms energy: -66.114152
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -31.012
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: 4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -543.683731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.683731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.683731 (E_RNA)
where:
Base-Base interactions energy: -391.131
where: short stacking energy: -151.218
Base-Backbone interact. energy: -0.004
local terms energy: -152.548839
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -46.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -546.639777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.639777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.639777 (E_RNA)
where:
Base-Base interactions energy: -390.977
where: short stacking energy: -150.282
Base-Backbone interact. energy: -0.002
local terms energy: -155.661011
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -47.750
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -535.386484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.386484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.386484 (E_RNA)
where:
Base-Base interactions energy: -384.615
where: short stacking energy: -151.002
Base-Backbone interact. energy: -0.156
local terms energy: -151.087061
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -47.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.472 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -516.980949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.980949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.980949 (E_RNA)
where:
Base-Base interactions energy: -370.605
where: short stacking energy: -151.870
Base-Backbone interact. energy: -0.620
local terms energy: -146.651405
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -44.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.895 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -524.449602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.449602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.449602 (E_RNA)
where:
Base-Base interactions energy: -382.489
where: short stacking energy: -144.501
Base-Backbone interact. energy: -0.001
local terms energy: -141.959007
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -44.492
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: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -492.646288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.646288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.646288 (E_RNA)
where:
Base-Base interactions energy: -356.836
where: short stacking energy: -140.953
Base-Backbone interact. energy: -0.144
local terms energy: -135.666844
where:
bonds (distance) C4'-P energy: -30.161
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -43.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -493.571550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.571550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.571550 (E_RNA)
where:
Base-Base interactions energy: -362.447
where: short stacking energy: -132.457
Base-Backbone interact. energy: 1.123
local terms energy: -132.248291
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -45.306
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: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -494.341039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.341039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.341039 (E_RNA)
where:
Base-Base interactions energy: -362.673
where: short stacking energy: -143.365
Base-Backbone interact. energy: -0.728
local terms energy: -130.940338
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -43.511
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: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -406.703060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.703060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.703060 (E_RNA)
where:
Base-Base interactions energy: -294.058
where: short stacking energy: -117.232
Base-Backbone interact. energy: -0.106
local terms energy: -113.559962
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -34.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.022 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -116.170028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.170028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.170028 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -23.570
Base-Backbone interact. energy: 0.649
local terms energy: -73.818153
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: 7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -543.301102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.301102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.301102 (E_RNA)
where:
Base-Base interactions energy: -392.387
where: short stacking energy: -157.211
Base-Backbone interact. energy: -0.001
local terms energy: -150.913697
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -48.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -542.408001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.408001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.408001 (E_RNA)
where:
Base-Base interactions energy: -387.293
where: short stacking energy: -149.534
Base-Backbone interact. energy: -0.001
local terms energy: -155.114027
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -46.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -518.291835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.291835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.291835 (E_RNA)
where:
Base-Base interactions energy: -377.468
where: short stacking energy: -141.952
Base-Backbone interact. energy: -0.012
local terms energy: -141.428310
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.617 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -518.862799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.862799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.862799 (E_RNA)
where:
Base-Base interactions energy: -386.266
where: short stacking energy: -146.265
Base-Backbone interact. energy: 0.931
local terms energy: -134.905637
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -43.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.378 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -523.102957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.102957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.102957 (E_RNA)
where:
Base-Base interactions energy: -370.996
where: short stacking energy: -150.265
Base-Backbone interact. energy: -0.075
local terms energy: -152.032395
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -45.224
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: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -504.942900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.942900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.942900 (E_RNA)
where:
Base-Base interactions energy: -353.565
where: short stacking energy: -137.316
Base-Backbone interact. energy: -0.008
local terms energy: -151.370073
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -46.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -507.026522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.026522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.026522 (E_RNA)
where:
Base-Base interactions energy: -360.567
where: short stacking energy: -140.673
Base-Backbone interact. energy: -0.002
local terms energy: -146.457243
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -45.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -472.747814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.747814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.747814 (E_RNA)
where:
Base-Base interactions energy: -351.969
where: short stacking energy: -134.362
Base-Backbone interact. energy: -0.613
local terms energy: -120.166483
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -40.338
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: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -373.978450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.978450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.978450 (E_RNA)
where:
Base-Base interactions energy: -251.310
where: short stacking energy: -101.278
Base-Backbone interact. energy: -0.690
local terms energy: -122.648354
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -30.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.670 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -122.276102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.276102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.276102 (E_RNA)
where:
Base-Base interactions energy: -41.716
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.665
local terms energy: -79.895240
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: 3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -540.881499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.881499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.881499 (E_RNA)
where:
Base-Base interactions energy: -386.948
where: short stacking energy: -152.070
Base-Backbone interact. energy: -0.002
local terms energy: -153.931416
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -44.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -538.987470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.987470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.987470 (E_RNA)
where:
Base-Base interactions energy: -392.448
where: short stacking energy: -154.602
Base-Backbone interact. energy: -0.024
local terms energy: -148.003984
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -49.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.489 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -531.628369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.628369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.628369 (E_RNA)
where:
Base-Base interactions energy: -384.709
where: short stacking energy: -147.326
Base-Backbone interact. energy: -0.001
local terms energy: -146.919273
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -45.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -524.761411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.761411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.761411 (E_RNA)
where:
Base-Base interactions energy: -380.292
where: short stacking energy: -148.405
Base-Backbone interact. energy: -0.346
local terms energy: -144.123807
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -44.310
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: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -509.035311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.035311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.035311 (E_RNA)
where:
Base-Base interactions energy: -383.257
where: short stacking energy: -148.075
Base-Backbone interact. energy: -0.045
local terms energy: -127.688224
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -44.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.955 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -507.809856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.809856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.809856 (E_RNA)
where:
Base-Base interactions energy: -366.664
where: short stacking energy: -144.678
Base-Backbone interact. energy: -0.012
local terms energy: -141.133919
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -27.559
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -48.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -502.930287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.930287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.930287 (E_RNA)
where:
Base-Base interactions energy: -365.109
where: short stacking energy: -138.960
Base-Backbone interact. energy: -0.004
local terms energy: -137.816353
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -43.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -476.984974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.984974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.984974 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -137.158
Base-Backbone interact. energy: -0.448
local terms energy: -120.153144
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -27.559
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -41.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -419.169664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.169664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.169664 (E_RNA)
where:
Base-Base interactions energy: -297.995
where: short stacking energy: -114.402
Base-Backbone interact. energy: -0.861
local terms energy: -120.314334
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -30.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -122.920448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.920448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.920448 (E_RNA)
where:
Base-Base interactions energy: -54.974
where: short stacking energy: -31.899
Base-Backbone interact. energy: -0.623
local terms energy: -67.383686
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.036
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: 0.061 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -542.224502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.224502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.224502 (E_RNA)
where:
Base-Base interactions energy: -389.610
where: short stacking energy: -150.051
Base-Backbone interact. energy: -0.001
local terms energy: -152.969891
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -46.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.357 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -530.957707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.957707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.957707 (E_RNA)
where:
Base-Base interactions energy: -381.787
where: short stacking energy: -147.563
Base-Backbone interact. energy: -0.001
local terms energy: -149.169818
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -530.864297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.864297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.864297 (E_RNA)
where:
Base-Base interactions energy: -375.190
where: short stacking energy: -145.130
Base-Backbone interact. energy: -0.000
local terms energy: -155.673829
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -29.136
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -46.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -519.564308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.564308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.564308 (E_RNA)
where:
Base-Base interactions energy: -374.156
where: short stacking energy: -143.678
Base-Backbone interact. energy: -0.001
local terms energy: -145.942891
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -47.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.535 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -511.510862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.510862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.510862 (E_RNA)
where:
Base-Base interactions energy: -367.464
where: short stacking energy: -141.039
Base-Backbone interact. energy: -0.001
local terms energy: -144.045286
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -45.269
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: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -497.390119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.390119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.390119 (E_RNA)
where:
Base-Base interactions energy: -361.529
where: short stacking energy: -141.246
Base-Backbone interact. energy: -0.003
local terms energy: -138.667925
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -44.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.809 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -489.931336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.931336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.931336 (E_RNA)
where:
Base-Base interactions energy: -354.115
where: short stacking energy: -136.842
Base-Backbone interact. energy: -0.124
local terms energy: -135.692026
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -43.498
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -491.277360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.277360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.277360 (E_RNA)
where:
Base-Base interactions energy: -339.148
where: short stacking energy: -134.829
Base-Backbone interact. energy: -0.032
local terms energy: -152.096974
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -26.885
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -43.213
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: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -428.231601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.231601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.231601 (E_RNA)
where:
Base-Base interactions energy: -313.723
where: short stacking energy: -115.340
Base-Backbone interact. energy: -0.031
local terms energy: -114.477491
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -31.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -126.307592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.307592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.307592 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -33.957
Base-Backbone interact. energy: 1.573
local terms energy: -88.538969
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -13.053
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: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -552.023204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.023204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.023204 (E_RNA)
where:
Base-Base interactions energy: -397.849
where: short stacking energy: -143.845
Base-Backbone interact. energy: -0.215
local terms energy: -153.958905
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -29.011
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -47.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -533.803913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.803913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.803913 (E_RNA)
where:
Base-Base interactions energy: -386.809
where: short stacking energy: -149.506
Base-Backbone interact. energy: -0.009
local terms energy: -146.985739
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -30.375
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -42.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -529.793402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.793402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.793402 (E_RNA)
where:
Base-Base interactions energy: -379.940
where: short stacking energy: -142.906
Base-Backbone interact. energy: -0.045
local terms energy: -149.808953
where:
bonds (distance) C4'-P energy: -26.129
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -44.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -508.925796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.925796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.925796 (E_RNA)
where:
Base-Base interactions energy: -369.506
where: short stacking energy: -137.363
Base-Backbone interact. energy: -0.576
local terms energy: -138.843423
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -30.751
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -518.979924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.979924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.979924 (E_RNA)
where:
Base-Base interactions energy: -369.828
where: short stacking energy: -140.063
Base-Backbone interact. energy: -0.025
local terms energy: -149.127064
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -47.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -515.895881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.895881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.895881 (E_RNA)
where:
Base-Base interactions energy: -374.956
where: short stacking energy: -145.054
Base-Backbone interact. energy: -0.006
local terms energy: -141.149164
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -45.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.215 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -502.855524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.855524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.855524 (E_RNA)
where:
Base-Base interactions energy: -360.908
where: short stacking energy: -136.641
Base-Backbone interact. energy: -0.005
local terms energy: -145.250798
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -29.045
flat angles C4'-P-C4' energy: -26.742
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -47.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.309 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -491.247209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.247209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.247209 (E_RNA)
where:
Base-Base interactions energy: -357.042
where: short stacking energy: -138.043
Base-Backbone interact. energy: -0.002
local terms energy: -134.203083
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -46.835
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: 233
Temperature: 1.300000
Total energy: -429.963012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.963012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.963012 (E_RNA)
where:
Base-Base interactions energy: -304.288
where: short stacking energy: -118.454
Base-Backbone interact. energy: -1.159
local terms energy: -124.516008
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -26.703
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -34.713
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: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -125.161152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.161152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.161152 (E_RNA)
where:
Base-Base interactions energy: -48.100
where: short stacking energy: -47.614
Base-Backbone interact. energy: -0.073
local terms energy: -76.988549
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -547.767398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.767398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.767398 (E_RNA)
where:
Base-Base interactions energy: -390.778
where: short stacking energy: -151.647
Base-Backbone interact. energy: -0.006
local terms energy: -158.846947
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -25.459
tors. eta vs tors. theta energy: -45.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.863 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -533.234632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.234632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.234632 (E_RNA)
where:
Base-Base interactions energy: -380.652
where: short stacking energy: -150.122
Base-Backbone interact. energy: -0.325
local terms energy: -152.622544
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -30.998
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.365 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -531.392978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.392978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.392978 (E_RNA)
where:
Base-Base interactions energy: -382.264
where: short stacking energy: -146.670
Base-Backbone interact. energy: -0.003
local terms energy: -149.125955
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -47.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -523.285716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.285716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.285716 (E_RNA)
where:
Base-Base interactions energy: -376.684
where: short stacking energy: -141.983
Base-Backbone interact. energy: -0.000
local terms energy: -146.601388
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: -45.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -528.964143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.964143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.964143 (E_RNA)
where:
Base-Base interactions energy: -376.685
where: short stacking energy: -143.620
Base-Backbone interact. energy: -1.086
local terms energy: -151.193184
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -46.808
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: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -496.179164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.179164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.179164 (E_RNA)
where:
Base-Base interactions energy: -358.408
where: short stacking energy: -139.838
Base-Backbone interact. energy: -0.519
local terms energy: -137.258778
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -41.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.007 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -485.829271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.829271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.829271 (E_RNA)
where:
Base-Base interactions energy: -349.324
where: short stacking energy: -132.387
Base-Backbone interact. energy: -0.166
local terms energy: -136.338929
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -40.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -469.131405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.131405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.131405 (E_RNA)
where:
Base-Base interactions energy: -353.628
where: short stacking energy: -141.699
Base-Backbone interact. energy: -0.020
local terms energy: -122.536840
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -40.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 7.053 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -417.531456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.531456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.531456 (E_RNA)
where:
Base-Base interactions energy: -289.345
where: short stacking energy: -103.516
Base-Backbone interact. energy: -0.211
local terms energy: -128.215560
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -30.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.239 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -123.291816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.291816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.291816 (E_RNA)
where:
Base-Base interactions energy: -46.797
where: short stacking energy: -16.486
Base-Backbone interact. energy: 0.662
local terms energy: -77.156609
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -547.936108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.936108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.936108 (E_RNA)
where:
Base-Base interactions energy: -390.040
where: short stacking energy: -153.471
Base-Backbone interact. energy: 0.221
local terms energy: -158.273892
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: -48.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.156 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -542.427357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.427357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.427357 (E_RNA)
where:
Base-Base interactions energy: -400.557
where: short stacking energy: -154.284
Base-Backbone interact. energy: -0.240
local terms energy: -141.630577
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -43.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -527.968465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.968465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.968465 (E_RNA)
where:
Base-Base interactions energy: -390.193
where: short stacking energy: -149.586
Base-Backbone interact. energy: -0.001
local terms energy: -137.775079
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: -47.042
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: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -512.388505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.388505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.388505 (E_RNA)
where:
Base-Base interactions energy: -374.777
where: short stacking energy: -143.194
Base-Backbone interact. energy: -0.003
local terms energy: -137.607682
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -30.498
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -43.799
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: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -508.487696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.487696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.487696 (E_RNA)
where:
Base-Base interactions energy: -369.648
where: short stacking energy: -147.323
Base-Backbone interact. energy: -0.011
local terms energy: -138.829465
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -44.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -518.876983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.876983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.876983 (E_RNA)
where:
Base-Base interactions energy: -375.880
where: short stacking energy: -141.549
Base-Backbone interact. energy: -0.018
local terms energy: -142.979280
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -45.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -499.894991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.894991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.894991 (E_RNA)
where:
Base-Base interactions energy: -362.521
where: short stacking energy: -137.460
Base-Backbone interact. energy: -0.001
local terms energy: -137.372967
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -44.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -491.369488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.369488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.369488 (E_RNA)
where:
Base-Base interactions energy: -362.242
where: short stacking energy: -135.454
Base-Backbone interact. energy: -0.169
local terms energy: -131.941235
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -27.658
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -44.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.983 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -409.069409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.069409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.069409 (E_RNA)
where:
Base-Base interactions energy: -286.198
where: short stacking energy: -121.277
Base-Backbone interact. energy: -1.554
local terms energy: -121.317964
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -33.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -121.052076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.052076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.052076 (E_RNA)
where:
Base-Base interactions energy: -45.399
where: short stacking energy: -26.295
Base-Backbone interact. energy: -1.514
local terms energy: -74.139072
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 12.281
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: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -543.375685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.375685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.375685 (E_RNA)
where:
Base-Base interactions energy: -383.666
where: short stacking energy: -150.766
Base-Backbone interact. energy: -0.001
local terms energy: -159.709370
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -46.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -533.021974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.021974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.021974 (E_RNA)
where:
Base-Base interactions energy: -371.252
where: short stacking energy: -149.274
Base-Backbone interact. energy: -0.016
local terms energy: -161.753726
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -46.757
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: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -539.210326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.210326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.210326 (E_RNA)
where:
Base-Base interactions energy: -384.682
where: short stacking energy: -148.589
Base-Backbone interact. energy: -0.001
local terms energy: -154.527861
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -49.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -522.393514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.393514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.393514 (E_RNA)
where:
Base-Base interactions energy: -381.523
where: short stacking energy: -150.762
Base-Backbone interact. energy: -0.084
local terms energy: -142.687545
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -45.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.901 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -503.871616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.871616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.871616 (E_RNA)
where:
Base-Base interactions energy: -357.201
where: short stacking energy: -139.125
Base-Backbone interact. energy: -0.005
local terms energy: -146.666080
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -43.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -493.348601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.348601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.348601 (E_RNA)
where:
Base-Base interactions energy: -358.367
where: short stacking energy: -134.738
Base-Backbone interact. energy: -0.062
local terms energy: -134.920197
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -41.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -485.719289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.719289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.719289 (E_RNA)
where:
Base-Base interactions energy: -359.130
where: short stacking energy: -127.999
Base-Backbone interact. energy: -0.037
local terms energy: -127.235538
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: -40.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.683 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -467.073939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.073939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.073939 (E_RNA)
where:
Base-Base interactions energy: -347.892
where: short stacking energy: -130.236
Base-Backbone interact. energy: -0.023
local terms energy: -122.052923
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -41.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.894 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -401.960054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.960054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.960054 (E_RNA)
where:
Base-Base interactions energy: -287.695
where: short stacking energy: -111.234
Base-Backbone interact. energy: -0.026
local terms energy: -114.239685
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: -31.405
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: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -128.782892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.782892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.782892 (E_RNA)
where:
Base-Base interactions energy: -48.695
where: short stacking energy: -39.768
Base-Backbone interact. energy: -0.240
local terms energy: -79.847490
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -18.002
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: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -542.923917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.923917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.923917 (E_RNA)
where:
Base-Base interactions energy: -393.333
where: short stacking energy: -145.968
Base-Backbone interact. energy: -0.003
local terms energy: -149.588361
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -28.816
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -22.586
tors. eta vs tors. theta energy: -44.988
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -537.826540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.826540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.826540 (E_RNA)
where:
Base-Base interactions energy: -385.595
where: short stacking energy: -150.379
Base-Backbone interact. energy: -0.002
local terms energy: -152.230226
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -44.020
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: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -524.837636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.837636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.837636 (E_RNA)
where:
Base-Base interactions energy: -373.789
where: short stacking energy: -143.473
Base-Backbone interact. energy: -0.136
local terms energy: -150.912690
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -30.880
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -42.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -518.335950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.335950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.335950 (E_RNA)
where:
Base-Base interactions energy: -380.093
where: short stacking energy: -149.622
Base-Backbone interact. energy: -0.003
local terms energy: -139.096473
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -47.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.857 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -513.367811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.367811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.367811 (E_RNA)
where:
Base-Base interactions energy: -371.809
where: short stacking energy: -137.158
Base-Backbone interact. energy: -0.114
local terms energy: -141.444809
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -24.329
tors. eta vs tors. theta energy: -44.194
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: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -514.409087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.409087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.409087 (E_RNA)
where:
Base-Base interactions energy: -374.504
where: short stacking energy: -143.125
Base-Backbone interact. energy: -0.282
local terms energy: -139.622833
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -45.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -497.243877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.243877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.243877 (E_RNA)
where:
Base-Base interactions energy: -363.612
where: short stacking energy: -142.315
Base-Backbone interact. energy: -0.281
local terms energy: -133.450980
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -43.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.100 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -455.261142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.261142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.261142 (E_RNA)
where:
Base-Base interactions energy: -345.797
where: short stacking energy: -130.678
Base-Backbone interact. energy: -0.065
local terms energy: -115.041092
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -38.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.642 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -400.543588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.543588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.543588 (E_RNA)
where:
Base-Base interactions energy: -275.037
where: short stacking energy: -103.127
Base-Backbone interact. energy: -1.464
local terms energy: -124.042203
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -29.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -133.359180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.359180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.359180 (E_RNA)
where:
Base-Base interactions energy: -63.298
where: short stacking energy: -37.740
Base-Backbone interact. energy: -0.350
local terms energy: -73.563177
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -13.159
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: 3.852 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -552.206803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.206803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.206803 (E_RNA)
where:
Base-Base interactions energy: -395.099
where: short stacking energy: -155.189
Base-Backbone interact. energy: -0.000
local terms energy: -157.107212
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -48.791
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: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -539.395214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.395214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.395214 (E_RNA)
where:
Base-Base interactions energy: -388.960
where: short stacking energy: -148.029
Base-Backbone interact. energy: -0.001
local terms energy: -150.434998
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -32.155
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -45.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -526.085973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.085973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.085973 (E_RNA)
where:
Base-Base interactions energy: -378.118
where: short stacking energy: -140.887
Base-Backbone interact. energy: -0.050
local terms energy: -148.110923
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -29.684
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.193 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -527.338294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.338294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.338294 (E_RNA)
where:
Base-Base interactions energy: -378.678
where: short stacking energy: -146.441
Base-Backbone interact. energy: -0.001
local terms energy: -148.658717
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -47.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -526.221685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.221685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.221685 (E_RNA)
where:
Base-Base interactions energy: -379.225
where: short stacking energy: -143.947
Base-Backbone interact. energy: -0.006
local terms energy: -146.990660
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -43.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -507.001332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.001332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.001332 (E_RNA)
where:
Base-Base interactions energy: -371.181
where: short stacking energy: -141.818
Base-Backbone interact. energy: -0.250
local terms energy: -135.569498
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -45.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -499.757456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.757456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.757456 (E_RNA)
where:
Base-Base interactions energy: -368.599
where: short stacking energy: -145.194
Base-Backbone interact. energy: -0.002
local terms energy: -132.661639
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -44.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.505 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -470.569764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.569764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.569764 (E_RNA)
where:
Base-Base interactions energy: -343.809
where: short stacking energy: -128.670
Base-Backbone interact. energy: -0.216
local terms energy: -131.063326
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -41.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.518 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -411.786754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.786754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.786754 (E_RNA)
where:
Base-Base interactions energy: -284.050
where: short stacking energy: -109.248
Base-Backbone interact. energy: -0.311
local terms energy: -127.425490
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -34.981
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -123.012189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.012189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.012189 (E_RNA)
where:
Base-Base interactions energy: -50.552
where: short stacking energy: -23.909
Base-Backbone interact. energy: -1.298
local terms energy: -71.508324
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: 5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.346 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -551.651693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.651693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.651693 (E_RNA)
where:
Base-Base interactions energy: -391.457
where: short stacking energy: -155.815
Base-Backbone interact. energy: -0.003
local terms energy: -160.191827
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -33.904
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -49.944
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -539.039732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.039732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.039732 (E_RNA)
where:
Base-Base interactions energy: -382.467
where: short stacking energy: -148.110
Base-Backbone interact. energy: -0.001
local terms energy: -156.653466
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -44.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.081 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -523.351326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.351326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.351326 (E_RNA)
where:
Base-Base interactions energy: -374.637
where: short stacking energy: -148.938
Base-Backbone interact. energy: -0.280
local terms energy: -148.434146
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -30.027
flat angles P-C4'-P energy: -22.637
tors. eta vs tors. theta energy: -44.719
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: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -514.849832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.849832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.849832 (E_RNA)
where:
Base-Base interactions energy: -364.543
where: short stacking energy: -140.549
Base-Backbone interact. energy: -0.014
local terms energy: -150.292760
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -45.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -536.847710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.847710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.847710 (E_RNA)
where:
Base-Base interactions energy: -391.232
where: short stacking energy: -148.744
Base-Backbone interact. energy: -0.000
local terms energy: -146.463142
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -46.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.847 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -522.404110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.404110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.404110 (E_RNA)
where:
Base-Base interactions energy: -371.966
where: short stacking energy: -144.009
Base-Backbone interact. energy: -0.005
local terms energy: -150.928188
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -47.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.495 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -488.861682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.861682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.861682 (E_RNA)
where:
Base-Base interactions energy: -353.046
where: short stacking energy: -139.559
Base-Backbone interact. energy: 0.980
local terms energy: -136.795662
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -43.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -459.573863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.573863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.573863 (E_RNA)
where:
Base-Base interactions energy: -332.397
where: short stacking energy: -124.296
Base-Backbone interact. energy: -0.091
local terms energy: -127.880917
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -39.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.795 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -387.892930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.892930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.892930 (E_RNA)
where:
Base-Base interactions energy: -277.406
where: short stacking energy: -104.821
Base-Backbone interact. energy: 3.377
local terms energy: -113.863884
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -28.807
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: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -133.431633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.431633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.431633 (E_RNA)
where:
Base-Base interactions energy: -54.942
where: short stacking energy: -34.294
Base-Backbone interact. energy: 0.110
local terms energy: -78.599852
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -14.190
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: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -548.537327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.537327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.537327 (E_RNA)
where:
Base-Base interactions energy: -391.612
where: short stacking energy: -154.825
Base-Backbone interact. energy: -0.587
local terms energy: -156.338830
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -46.249
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: 240
Temperature: 0.950000
Total energy: -537.526423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.526423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.526423 (E_RNA)
where:
Base-Base interactions energy: -384.484
where: short stacking energy: -149.354
Base-Backbone interact. energy: -0.001
local terms energy: -153.041229
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -46.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -531.463108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.463108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.463108 (E_RNA)
where:
Base-Base interactions energy: -377.129
where: short stacking energy: -149.179
Base-Backbone interact. energy: -0.006
local terms energy: -154.327604
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -44.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -526.836075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.836075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.836075 (E_RNA)
where:
Base-Base interactions energy: -382.457
where: short stacking energy: -149.501
Base-Backbone interact. energy: -0.001
local terms energy: -144.377275
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -527.153234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.153234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.153234 (E_RNA)
where:
Base-Base interactions energy: -386.303
where: short stacking energy: -149.680
Base-Backbone interact. energy: -0.001
local terms energy: -141.520041
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -46.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.671 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -505.360107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.360107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.360107 (E_RNA)
where:
Base-Base interactions energy: -356.599
where: short stacking energy: -140.720
Base-Backbone interact. energy: -0.000
local terms energy: -148.761170
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -44.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -464.477811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.477811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.477811 (E_RNA)
where:
Base-Base interactions energy: -321.186
where: short stacking energy: -128.095
Base-Backbone interact. energy: -0.100
local terms energy: -144.222062
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -40.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.030 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -500.199962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.199962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.199962 (E_RNA)
where:
Base-Base interactions energy: -357.219
where: short stacking energy: -129.577
Base-Backbone interact. energy: 1.051
local terms energy: -144.032334
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -43.942
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: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -390.164559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.164559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.164559 (E_RNA)
where:
Base-Base interactions energy: -278.485
where: short stacking energy: -108.184
Base-Backbone interact. energy: 1.037
local terms energy: -112.716444
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -120.873216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.873216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.873216 (E_RNA)
where:
Base-Base interactions energy: -35.399
where: short stacking energy: -35.399
Base-Backbone interact. energy: -0.523
local terms energy: -84.994853
where:
bonds (distance) C4'-P energy: -27.997
bonds (distance) P-C4' energy: -29.234
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -7.306
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: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -547.710129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.710129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.710129 (E_RNA)
where:
Base-Base interactions energy: -388.150
where: short stacking energy: -150.950
Base-Backbone interact. energy: -0.156
local terms energy: -159.403697
where:
bonds (distance) C4'-P energy: -26.874
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -48.428
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: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -532.947134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.947134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.947134 (E_RNA)
where:
Base-Base interactions energy: -389.577
where: short stacking energy: -151.765
Base-Backbone interact. energy: -0.212
local terms energy: -144.350896
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -27.959
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -45.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.193 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -523.559784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.559784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.559784 (E_RNA)
where:
Base-Base interactions energy: -377.182
where: short stacking energy: -144.746
Base-Backbone interact. energy: -0.036
local terms energy: -146.342371
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -46.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -521.654799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.654799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.654799 (E_RNA)
where:
Base-Base interactions energy: -372.572
where: short stacking energy: -141.500
Base-Backbone interact. energy: -0.008
local terms energy: -149.074270
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -43.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -505.538605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.538605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.538605 (E_RNA)
where:
Base-Base interactions energy: -363.219
where: short stacking energy: -133.689
Base-Backbone interact. energy: -0.550
local terms energy: -141.770238
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -486.949246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.949246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.949246 (E_RNA)
where:
Base-Base interactions energy: -345.873
where: short stacking energy: -136.489
Base-Backbone interact. energy: -0.016
local terms energy: -141.060337
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -28.826
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -42.783
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: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -503.962728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.962728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.962728 (E_RNA)
where:
Base-Base interactions energy: -368.253
where: short stacking energy: -140.545
Base-Backbone interact. energy: -0.042
local terms energy: -136.147679
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -42.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.480 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -483.119873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.119873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.119873 (E_RNA)
where:
Base-Base interactions energy: -356.433
where: short stacking energy: -134.036
Base-Backbone interact. energy: -0.002
local terms energy: -126.684381
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -31.171
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -43.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -440.877078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.877078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.877078 (E_RNA)
where:
Base-Base interactions energy: -320.164
where: short stacking energy: -128.254
Base-Backbone interact. energy: -0.083
local terms energy: -122.191932
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -36.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.562 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -121.544812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.544812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.544812 (E_RNA)
where:
Base-Base interactions energy: -43.599
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.588
local terms energy: -77.357629
where:
bonds (distance) C4'-P energy: -24.344
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: 2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -547.232261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.232261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.232261 (E_RNA)
where:
Base-Base interactions energy: -393.483
where: short stacking energy: -152.773
Base-Backbone interact. energy: -0.161
local terms energy: -153.587650
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -44.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -546.837846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.837846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.837846 (E_RNA)
where:
Base-Base interactions energy: -393.971
where: short stacking energy: -153.495
Base-Backbone interact. energy: -0.000
local terms energy: -152.866821
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -47.004
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: 242
Temperature: 1.000000
Total energy: -536.202945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.202945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.202945 (E_RNA)
where:
Base-Base interactions energy: -385.430
where: short stacking energy: -155.067
Base-Backbone interact. energy: -0.008
local terms energy: -150.832467
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -48.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.068 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -518.504386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.504386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.504386 (E_RNA)
where:
Base-Base interactions energy: -362.798
where: short stacking energy: -138.558
Base-Backbone interact. energy: -0.042
local terms energy: -155.664020
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -46.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -515.484803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.484803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.484803 (E_RNA)
where:
Base-Base interactions energy: -384.166
where: short stacking energy: -153.667
Base-Backbone interact. energy: -0.005
local terms energy: -131.313974
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -47.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -500.256302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.256302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.256302 (E_RNA)
where:
Base-Base interactions energy: -363.693
where: short stacking energy: -142.729
Base-Backbone interact. energy: 0.352
local terms energy: -137.385968
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -42.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.470 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -488.020425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.020425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.020425 (E_RNA)
where:
Base-Base interactions energy: -360.425
where: short stacking energy: -136.875
Base-Backbone interact. energy: -0.678
local terms energy: -127.408519
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -38.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.491 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -473.792561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.792561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.792561 (E_RNA)
where:
Base-Base interactions energy: -347.450
where: short stacking energy: -129.543
Base-Backbone interact. energy: -0.038
local terms energy: -126.304197
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -38.675
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: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -426.814389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.814389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.814389 (E_RNA)
where:
Base-Base interactions energy: -307.979
where: short stacking energy: -112.292
Base-Backbone interact. energy: -0.101
local terms energy: -118.912724
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -37.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.178 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -130.883130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.883130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.883130 (E_RNA)
where:
Base-Base interactions energy: -47.841
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.336
local terms energy: -83.047977
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.342 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -544.015739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.015739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.015739 (E_RNA)
where:
Base-Base interactions energy: -381.493
where: short stacking energy: -148.287
Base-Backbone interact. energy: -0.014
local terms energy: -162.508846
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -31.903
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -47.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -548.398463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.398463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.398463 (E_RNA)
where:
Base-Base interactions energy: -395.792
where: short stacking energy: -149.958
Base-Backbone interact. energy: -0.283
local terms energy: -152.323700
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -29.966
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -47.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -539.372246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.372246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.372246 (E_RNA)
where:
Base-Base interactions energy: -382.822
where: short stacking energy: -148.389
Base-Backbone interact. energy: -0.575
local terms energy: -155.975453
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -45.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -518.605834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.605834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.605834 (E_RNA)
where:
Base-Base interactions energy: -375.791
where: short stacking energy: -145.633
Base-Backbone interact. energy: -0.001
local terms energy: -142.814051
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -506.629540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.629540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.629540 (E_RNA)
where:
Base-Base interactions energy: -355.911
where: short stacking energy: -143.464
Base-Backbone interact. energy: -0.035
local terms energy: -150.683531
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -32.304
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -42.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -522.820453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.820453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.820453 (E_RNA)
where:
Base-Base interactions energy: -381.412
where: short stacking energy: -143.026
Base-Backbone interact. energy: -0.001
local terms energy: -141.407302
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -45.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -501.932862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.932862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.932862 (E_RNA)
where:
Base-Base interactions energy: -361.295
where: short stacking energy: -135.169
Base-Backbone interact. energy: -0.664
local terms energy: -139.973490
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -45.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -488.231780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.231780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.231780 (E_RNA)
where:
Base-Base interactions energy: -354.242
where: short stacking energy: -143.080
Base-Backbone interact. energy: -0.024
local terms energy: -133.965649
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -45.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -481.376265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.376265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.376265 (E_RNA)
where:
Base-Base interactions energy: -344.850
where: short stacking energy: -129.024
Base-Backbone interact. energy: -0.133
local terms energy: -136.393779
where:
bonds (distance) C4'-P energy: -26.872
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -40.157
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: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -121.899317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.899317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.899317 (E_RNA)
where:
Base-Base interactions energy: -62.985
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.551
local terms energy: -60.172313
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: 7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.809 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -548.766117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.766117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.766117 (E_RNA)
where:
Base-Base interactions energy: -388.009
where: short stacking energy: -150.626
Base-Backbone interact. energy: -0.001
local terms energy: -160.756376
where:
bonds (distance) C4'-P energy: -29.583
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -44.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -542.276554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.276554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.276554 (E_RNA)
where:
Base-Base interactions energy: -387.092
where: short stacking energy: -150.073
Base-Backbone interact. energy: -0.001
local terms energy: -155.183336
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -47.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -537.435656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.435656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.435656 (E_RNA)
where:
Base-Base interactions energy: -386.867
where: short stacking energy: -149.721
Base-Backbone interact. energy: -0.002
local terms energy: -150.566732
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -43.697
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: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -527.651274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.651274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.651274 (E_RNA)
where:
Base-Base interactions energy: -380.428
where: short stacking energy: -148.279
Base-Backbone interact. energy: -0.000
local terms energy: -147.222783
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -26.410
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -46.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -517.429401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.429401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.429401 (E_RNA)
where:
Base-Base interactions energy: -371.542
where: short stacking energy: -143.144
Base-Backbone interact. energy: -0.010
local terms energy: -145.876804
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -48.088
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -504.549242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.549242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.549242 (E_RNA)
where:
Base-Base interactions energy: -363.073
where: short stacking energy: -147.871
Base-Backbone interact. energy: -0.015
local terms energy: -141.460553
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -44.498
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: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -509.829150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.829150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.829150 (E_RNA)
where:
Base-Base interactions energy: -373.538
where: short stacking energy: -140.067
Base-Backbone interact. energy: -0.156
local terms energy: -136.341966
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -27.900
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -45.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -469.433664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.433664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.433664 (E_RNA)
where:
Base-Base interactions energy: -330.240
where: short stacking energy: -125.552
Base-Backbone interact. energy: -0.310
local terms energy: -138.958639
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -41.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.074 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -416.143364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.143364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.143364 (E_RNA)
where:
Base-Base interactions energy: -290.324
where: short stacking energy: -117.943
Base-Backbone interact. energy: -0.034
local terms energy: -125.785474
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -35.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -137.977868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.977868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.977868 (E_RNA)
where:
Base-Base interactions energy: -49.180
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.487
local terms energy: -88.310689
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -531.885835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.885835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.885835 (E_RNA)
where:
Base-Base interactions energy: -378.622
where: short stacking energy: -146.337
Base-Backbone interact. energy: -0.013
local terms energy: -153.250252
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: -44.828
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: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -540.925876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.925876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.925876 (E_RNA)
where:
Base-Base interactions energy: -389.184
where: short stacking energy: -151.325
Base-Backbone interact. energy: -0.001
local terms energy: -152.058003
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -529.265738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.265738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.265738 (E_RNA)
where:
Base-Base interactions energy: -380.762
where: short stacking energy: -142.859
Base-Backbone interact. energy: -0.706
local terms energy: -147.797531
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -530.501139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.501139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.501139 (E_RNA)
where:
Base-Base interactions energy: -384.519
where: short stacking energy: -149.883
Base-Backbone interact. energy: -0.003
local terms energy: -145.978962
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -47.255
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: 245
Temperature: 1.100000
Total energy: -508.634089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.634089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.634089 (E_RNA)
where:
Base-Base interactions energy: -362.479
where: short stacking energy: -135.639
Base-Backbone interact. energy: -0.001
local terms energy: -146.154344
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -45.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -515.473410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.473410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.473410 (E_RNA)
where:
Base-Base interactions energy: -370.719
where: short stacking energy: -141.755
Base-Backbone interact. energy: -0.001
local terms energy: -144.753426
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -24.977
tors. eta vs tors. theta energy: -46.901
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: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -488.893806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.893806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.893806 (E_RNA)
where:
Base-Base interactions energy: -346.377
where: short stacking energy: -135.935
Base-Backbone interact. energy: -0.001
local terms energy: -142.515404
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -44.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -490.268916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.268916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.268916 (E_RNA)
where:
Base-Base interactions energy: -359.670
where: short stacking energy: -134.295
Base-Backbone interact. energy: 0.723
local terms energy: -131.321350
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -42.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -479.843608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.843608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.843608 (E_RNA)
where:
Base-Base interactions energy: -343.799
where: short stacking energy: -133.366
Base-Backbone interact. energy: -0.233
local terms energy: -135.811139
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -42.719
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: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -127.621975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.621975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.621975 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -36.303
Base-Backbone interact. energy: -0.412
local terms energy: -80.467201
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -12.928
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: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -543.965310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.965310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.965310 (E_RNA)
where:
Base-Base interactions energy: -387.648
where: short stacking energy: -153.333
Base-Backbone interact. energy: -0.001
local terms energy: -156.316472
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -24.122
tors. eta vs tors. theta energy: -46.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -534.251886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.251886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.251886 (E_RNA)
where:
Base-Base interactions energy: -391.981
where: short stacking energy: -151.032
Base-Backbone interact. energy: -0.028
local terms energy: -142.513303
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -47.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.270 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -535.158862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.158862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.158862 (E_RNA)
where:
Base-Base interactions energy: -382.277
where: short stacking energy: -155.555
Base-Backbone interact. energy: -0.042
local terms energy: -152.840315
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -45.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -522.580290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.580290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.580290 (E_RNA)
where:
Base-Base interactions energy: -369.753
where: short stacking energy: -143.069
Base-Backbone interact. energy: -0.002
local terms energy: -152.824325
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -46.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -512.834229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.834229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.834229 (E_RNA)
where:
Base-Base interactions energy: -375.797
where: short stacking energy: -145.579
Base-Backbone interact. energy: -0.055
local terms energy: -136.982409
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -44.359
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: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -510.551737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.551737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.551737 (E_RNA)
where:
Base-Base interactions energy: -367.435
where: short stacking energy: -137.219
Base-Backbone interact. energy: -0.008
local terms energy: -143.108877
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -46.376
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: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -501.038828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.038828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.038828 (E_RNA)
where:
Base-Base interactions energy: -369.286
where: short stacking energy: -142.716
Base-Backbone interact. energy: -0.006
local terms energy: -131.746448
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -23.019
tors. eta vs tors. theta energy: -44.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -485.871604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.871604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.871604 (E_RNA)
where:
Base-Base interactions energy: -356.387
where: short stacking energy: -140.437
Base-Backbone interact. energy: -0.001
local terms energy: -129.483676
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -46.827
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: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -468.828892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.828892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.828892 (E_RNA)
where:
Base-Base interactions energy: -341.435
where: short stacking energy: -133.079
Base-Backbone interact. energy: -0.002
local terms energy: -128.007121
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -39.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.615 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -141.620402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.620402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.620402 (E_RNA)
where:
Base-Base interactions energy: -64.643
where: short stacking energy: -46.568
Base-Backbone interact. energy: 2.841
local terms energy: -79.818234
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -552.511600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.511600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.511600 (E_RNA)
where:
Base-Base interactions energy: -396.708
where: short stacking energy: -151.525
Base-Backbone interact. energy: -0.123
local terms energy: -155.680292
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -30.214
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -48.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -533.686876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.686876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.686876 (E_RNA)
where:
Base-Base interactions energy: -381.264
where: short stacking energy: -146.586
Base-Backbone interact. energy: -0.015
local terms energy: -152.408032
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -46.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -534.175631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.175631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.175631 (E_RNA)
where:
Base-Base interactions energy: -388.417
where: short stacking energy: -145.766
Base-Backbone interact. energy: -0.003
local terms energy: -145.756225
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -45.045
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: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -528.902562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.902562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.902562 (E_RNA)
where:
Base-Base interactions energy: -372.749
where: short stacking energy: -147.553
Base-Backbone interact. energy: -0.002
local terms energy: -156.151651
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -48.195
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: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -507.661281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.661281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.661281 (E_RNA)
where:
Base-Base interactions energy: -363.756
where: short stacking energy: -140.828
Base-Backbone interact. energy: -0.013
local terms energy: -144.373801
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -45.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.481 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -508.864409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.864409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.864409 (E_RNA)
where:
Base-Base interactions energy: -366.849
where: short stacking energy: -140.729
Base-Backbone interact. energy: -0.005
local terms energy: -142.951104
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -40.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.940 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -495.072390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.072390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.072390 (E_RNA)
where:
Base-Base interactions energy: -365.209
where: short stacking energy: -140.013
Base-Backbone interact. energy: -0.159
local terms energy: -129.704424
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -41.446
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: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -489.490580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.490580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.490580 (E_RNA)
where:
Base-Base interactions energy: -353.626
where: short stacking energy: -133.845
Base-Backbone interact. energy: -0.002
local terms energy: -135.862508
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -44.422
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: 247
Temperature: 1.300000
Total energy: -403.687570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.687570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.687570 (E_RNA)
where:
Base-Base interactions energy: -289.873
where: short stacking energy: -111.151
Base-Backbone interact. energy: -1.864
local terms energy: -111.950703
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -30.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -150.303899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.303899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.303899 (E_RNA)
where:
Base-Base interactions energy: -58.452
where: short stacking energy: -27.607
Base-Backbone interact. energy: -1.008
local terms energy: -90.843537
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -30.202
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: 1.137
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: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -536.103436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.103436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.103436 (E_RNA)
where:
Base-Base interactions energy: -387.744
where: short stacking energy: -146.728
Base-Backbone interact. energy: -0.497
local terms energy: -147.862601
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -44.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -535.287427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.287427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.287427 (E_RNA)
where:
Base-Base interactions energy: -379.690
where: short stacking energy: -148.930
Base-Backbone interact. energy: -0.010
local terms energy: -155.587259
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -47.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -517.331923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.331923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.331923 (E_RNA)
where:
Base-Base interactions energy: -371.514
where: short stacking energy: -145.108
Base-Backbone interact. energy: -0.158
local terms energy: -147.499402
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.839 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -527.254556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.254556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.254556 (E_RNA)
where:
Base-Base interactions energy: -376.447
where: short stacking energy: -141.005
Base-Backbone interact. energy: -0.589
local terms energy: -150.219031
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -45.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -527.066303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.066303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.066303 (E_RNA)
where:
Base-Base interactions energy: -377.369
where: short stacking energy: -149.370
Base-Backbone interact. energy: -0.021
local terms energy: -150.116686
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: -47.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.440 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -510.903795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.903795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.903795 (E_RNA)
where:
Base-Base interactions energy: -368.004
where: short stacking energy: -149.607
Base-Backbone interact. energy: -0.010
local terms energy: -143.246384
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -49.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -493.991931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.991931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.991931 (E_RNA)
where:
Base-Base interactions energy: -363.651
where: short stacking energy: -138.951
Base-Backbone interact. energy: -0.004
local terms energy: -130.337441
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -43.688
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: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -485.623569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.623569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.623569 (E_RNA)
where:
Base-Base interactions energy: -353.640
where: short stacking energy: -136.111
Base-Backbone interact. energy: -0.117
local terms energy: -131.866347
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -41.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -395.658216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.658216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.658216 (E_RNA)
where:
Base-Base interactions energy: -280.948
where: short stacking energy: -106.513
Base-Backbone interact. energy: -0.146
local terms energy: -114.564689
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -27.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -135.855363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.855363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.855363 (E_RNA)
where:
Base-Base interactions energy: -61.496
where: short stacking energy: -29.513
Base-Backbone interact. energy: -1.081
local terms energy: -73.279107
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -7.537
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: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -533.380708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.380708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.380708 (E_RNA)
where:
Base-Base interactions energy: -395.580
where: short stacking energy: -152.625
Base-Backbone interact. energy: -0.000
local terms energy: -139.270517
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -43.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.470 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -539.899253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.899253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.899253 (E_RNA)
where:
Base-Base interactions energy: -390.366
where: short stacking energy: -148.590
Base-Backbone interact. energy: -0.001
local terms energy: -149.532567
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -45.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -528.230476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.230476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.230476 (E_RNA)
where:
Base-Base interactions energy: -382.836
where: short stacking energy: -148.748
Base-Backbone interact. energy: -0.166
local terms energy: -145.228994
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: -46.032
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: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -535.822953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.822953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.822953 (E_RNA)
where:
Base-Base interactions energy: -381.580
where: short stacking energy: -147.574
Base-Backbone interact. energy: -0.621
local terms energy: -155.187125
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -33.255
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -45.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.565 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -516.575746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.575746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.575746 (E_RNA)
where:
Base-Base interactions energy: -364.470
where: short stacking energy: -136.318
Base-Backbone interact. energy: -0.001
local terms energy: -152.105212
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -45.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -511.632315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.632315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.632315 (E_RNA)
where:
Base-Base interactions energy: -378.803
where: short stacking energy: -147.817
Base-Backbone interact. energy: -0.005
local terms energy: -132.824413
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -30.535
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -44.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -496.105313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.105313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.105313 (E_RNA)
where:
Base-Base interactions energy: -355.911
where: short stacking energy: -137.024
Base-Backbone interact. energy: -0.006
local terms energy: -140.188785
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -23.926
tors. eta vs tors. theta energy: -45.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -467.838511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.838511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.838511 (E_RNA)
where:
Base-Base interactions energy: -330.239
where: short stacking energy: -127.399
Base-Backbone interact. energy: -0.001
local terms energy: -137.598666
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -40.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -428.477030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.477030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.477030 (E_RNA)
where:
Base-Base interactions energy: -306.446
where: short stacking energy: -113.805
Base-Backbone interact. energy: -0.250
local terms energy: -121.780451
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -125.485254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.485254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.485254 (E_RNA)
where:
Base-Base interactions energy: -45.782
where: short stacking energy: -43.827
Base-Backbone interact. energy: -0.053
local terms energy: -79.650138
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -544.358047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.358047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.358047 (E_RNA)
where:
Base-Base interactions energy: -390.101
where: short stacking energy: -147.819
Base-Backbone interact. energy: -0.017
local terms energy: -154.239786
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -45.265
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: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -546.883866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.883866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.883866 (E_RNA)
where:
Base-Base interactions energy: -393.588
where: short stacking energy: -151.690
Base-Backbone interact. energy: -0.001
local terms energy: -153.294812
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: -46.969
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: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -538.993695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.993695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.993695 (E_RNA)
where:
Base-Base interactions energy: -386.177
where: short stacking energy: -149.269
Base-Backbone interact. energy: -0.003
local terms energy: -153.356375
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -24.566
flat angles C4'-P-C4' energy: -31.834
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -46.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.543 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -511.068064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.068064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.068064 (E_RNA)
where:
Base-Base interactions energy: -369.424
where: short stacking energy: -145.602
Base-Backbone interact. energy: -0.001
local terms energy: -141.643460
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -46.964
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: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -522.769601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.769601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.769601 (E_RNA)
where:
Base-Base interactions energy: -377.163
where: short stacking energy: -140.644
Base-Backbone interact. energy: -0.002
local terms energy: -145.823308
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -28.709
flat angles C4'-P-C4' energy: -26.024
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -45.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.219 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -488.935053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.935053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.935053 (E_RNA)
where:
Base-Base interactions energy: -352.717
where: short stacking energy: -132.527
Base-Backbone interact. energy: -0.016
local terms energy: -136.201141
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -27.203
flat angles C4'-P-C4' energy: -28.716
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -42.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -486.940869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.940869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.940869 (E_RNA)
where:
Base-Base interactions energy: -348.099
where: short stacking energy: -137.189
Base-Backbone interact. energy: -0.208
local terms energy: -138.633972
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -41.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -479.703574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.703574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.703574 (E_RNA)
where:
Base-Base interactions energy: -341.157
where: short stacking energy: -128.069
Base-Backbone interact. energy: -0.002
local terms energy: -138.544197
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -40.544
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: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -423.796116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.796116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.796116 (E_RNA)
where:
Base-Base interactions energy: -301.200
where: short stacking energy: -124.152
Base-Backbone interact. energy: -0.073
local terms energy: -122.523022
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -36.762
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: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -117.498351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.498351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.498351 (E_RNA)
where:
Base-Base interactions energy: -39.905
where: short stacking energy: -32.557
Base-Backbone interact. energy: 1.212
local terms energy: -80.704382
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.898 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -550.255602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.255602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.255602 (E_RNA)
where:
Base-Base interactions energy: -395.661
where: short stacking energy: -154.273
Base-Backbone interact. energy: -0.001
local terms energy: -154.593823
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -49.853
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: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -546.449680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.449680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.449680 (E_RNA)
where:
Base-Base interactions energy: -389.372
where: short stacking energy: -157.483
Base-Backbone interact. energy: -0.136
local terms energy: -156.941645
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -31.161
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: -48.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -533.361878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.361878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.361878 (E_RNA)
where:
Base-Base interactions energy: -381.742
where: short stacking energy: -150.776
Base-Backbone interact. energy: -0.000
local terms energy: -151.619409
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -46.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -527.492060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.492060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.492060 (E_RNA)
where:
Base-Base interactions energy: -384.465
where: short stacking energy: -145.918
Base-Backbone interact. energy: -0.004
local terms energy: -143.023540
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -45.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -515.855155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.855155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.855155 (E_RNA)
where:
Base-Base interactions energy: -375.577
where: short stacking energy: -152.665
Base-Backbone interact. energy: -0.001
local terms energy: -142.169946
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -46.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.893 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -495.601924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.601924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.601924 (E_RNA)
where:
Base-Base interactions energy: -357.448
where: short stacking energy: -140.901
Base-Backbone interact. energy: -0.095
local terms energy: -138.059024
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -42.375
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: 251
Temperature: 1.200000
Total energy: -481.609237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.609237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.609237 (E_RNA)
where:
Base-Base interactions energy: -348.070
where: short stacking energy: -134.594
Base-Backbone interact. energy: -0.106
local terms energy: -133.433593
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -40.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -477.213596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.213596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.213596 (E_RNA)
where:
Base-Base interactions energy: -349.331
where: short stacking energy: -132.579
Base-Backbone interact. energy: -0.066
local terms energy: -127.816696
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -41.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -412.780906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.780906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.780906 (E_RNA)
where:
Base-Base interactions energy: -292.585
where: short stacking energy: -109.928
Base-Backbone interact. energy: -0.407
local terms energy: -119.789071
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -32.285
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -116.457807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.457807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.457807 (E_RNA)
where:
Base-Base interactions energy: -39.130
where: short stacking energy: -25.579
Base-Backbone interact. energy: 1.441
local terms energy: -78.768850
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: 5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -544.287460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.287460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.287460 (E_RNA)
where:
Base-Base interactions energy: -388.011
where: short stacking energy: -146.930
Base-Backbone interact. energy: -0.001
local terms energy: -156.391380
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -48.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -544.479666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.479666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.479666 (E_RNA)
where:
Base-Base interactions energy: -382.852
where: short stacking energy: -149.627
Base-Backbone interact. energy: -0.041
local terms energy: -161.586623
where:
bonds (distance) C4'-P energy: -29.693
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -46.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -533.636939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.636939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.636939 (E_RNA)
where:
Base-Base interactions energy: -376.101
where: short stacking energy: -148.753
Base-Backbone interact. energy: -0.007
local terms energy: -157.529219
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -46.567
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: 252
Temperature: 1.050000
Total energy: -525.818901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.818901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.818901 (E_RNA)
where:
Base-Base interactions energy: -377.532
where: short stacking energy: -150.813
Base-Backbone interact. energy: -0.250
local terms energy: -148.037232
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -45.753
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: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -520.017229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.017229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.017229 (E_RNA)
where:
Base-Base interactions energy: -373.635
where: short stacking energy: -146.513
Base-Backbone interact. energy: -0.039
local terms energy: -146.343693
where:
bonds (distance) C4'-P energy: -23.678
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -45.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -508.671325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.671325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.671325 (E_RNA)
where:
Base-Base interactions energy: -361.503
where: short stacking energy: -134.396
Base-Backbone interact. energy: -0.002
local terms energy: -147.165672
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -28.728
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -43.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -493.452245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.452245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.452245 (E_RNA)
where:
Base-Base interactions energy: -347.820
where: short stacking energy: -132.973
Base-Backbone interact. energy: -0.003
local terms energy: -145.628565
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -30.692
flat angles C4'-P-C4' energy: -28.007
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -42.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -496.411449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.411449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.411449 (E_RNA)
where:
Base-Base interactions energy: -353.747
where: short stacking energy: -138.129
Base-Backbone interact. energy: -0.150
local terms energy: -142.514801
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -44.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -424.119547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.119547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.119547 (E_RNA)
where:
Base-Base interactions energy: -298.675
where: short stacking energy: -111.772
Base-Backbone interact. energy: -0.492
local terms energy: -124.953181
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -36.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -141.250918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.250918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.250918 (E_RNA)
where:
Base-Base interactions energy: -54.014
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.046
local terms energy: -87.190789
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -19.277
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: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -547.898845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.898845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.898845 (E_RNA)
where:
Base-Base interactions energy: -392.967
where: short stacking energy: -151.860
Base-Backbone interact. energy: -0.001
local terms energy: -154.982504
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -31.458
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.051 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -550.998766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.998766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.998766 (E_RNA)
where:
Base-Base interactions energy: -385.486
where: short stacking energy: -147.872
Base-Backbone interact. energy: -0.003
local terms energy: -165.509432
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: -48.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -523.831612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.831612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.831612 (E_RNA)
where:
Base-Base interactions energy: -380.772
where: short stacking energy: -145.387
Base-Backbone interact. energy: -0.301
local terms energy: -142.758729
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -44.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -524.129422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.129422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.129422 (E_RNA)
where:
Base-Base interactions energy: -372.610
where: short stacking energy: -142.933
Base-Backbone interact. energy: -0.242
local terms energy: -151.277170
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -27.466
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -43.536
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: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -503.249947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.249947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.249947 (E_RNA)
where:
Base-Base interactions energy: -350.676
where: short stacking energy: -134.074
Base-Backbone interact. energy: 2.053
local terms energy: -154.626906
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -24.054
tors. eta vs tors. theta energy: -44.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -490.595505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.595505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.595505 (E_RNA)
where:
Base-Base interactions energy: -353.355
where: short stacking energy: -131.389
Base-Backbone interact. energy: -0.003
local terms energy: -137.238101
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -38.732
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: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -486.055494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.055494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.055494 (E_RNA)
where:
Base-Base interactions energy: -363.041
where: short stacking energy: -129.853
Base-Backbone interact. energy: -0.063
local terms energy: -124.078500
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -39.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.126 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -492.036029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.036029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.036029 (E_RNA)
where:
Base-Base interactions energy: -349.423
where: short stacking energy: -131.299
Base-Backbone interact. energy: -0.065
local terms energy: -142.547907
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -28.440
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -435.550165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.550165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.550165 (E_RNA)
where:
Base-Base interactions energy: -307.577
where: short stacking energy: -122.615
Base-Backbone interact. energy: -0.007
local terms energy: -127.966217
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -36.790
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: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -115.311632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.311632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.311632 (E_RNA)
where:
Base-Base interactions energy: -43.754
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.521
local terms energy: -71.037043
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: 2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -544.871099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.871099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.871099 (E_RNA)
where:
Base-Base interactions energy: -391.226
where: short stacking energy: -150.996
Base-Backbone interact. energy: -0.007
local terms energy: -153.844122
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -49.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.206 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -555.811511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.811511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.811511 (E_RNA)
where:
Base-Base interactions energy: -388.393
where: short stacking energy: -153.568
Base-Backbone interact. energy: -0.001
local terms energy: -167.416889
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -32.855
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -48.749
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -524.774698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.774698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.774698 (E_RNA)
where:
Base-Base interactions energy: -380.218
where: short stacking energy: -143.056
Base-Backbone interact. energy: -0.001
local terms energy: -144.555662
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -47.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -521.346414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.346414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.346414 (E_RNA)
where:
Base-Base interactions energy: -378.050
where: short stacking energy: -145.960
Base-Backbone interact. energy: -0.000
local terms energy: -143.296362
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -44.455
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: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -519.473780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.473780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.473780 (E_RNA)
where:
Base-Base interactions energy: -373.874
where: short stacking energy: -145.657
Base-Backbone interact. energy: -0.177
local terms energy: -145.422714
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -28.513
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -42.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -493.139088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.139088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.139088 (E_RNA)
where:
Base-Base interactions energy: -348.356
where: short stacking energy: -131.488
Base-Backbone interact. energy: -0.809
local terms energy: -143.974218
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -44.551
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: 254
Temperature: 1.200000
Total energy: -501.770255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.770255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.770255 (E_RNA)
where:
Base-Base interactions energy: -359.045
where: short stacking energy: -137.875
Base-Backbone interact. energy: -0.012
local terms energy: -142.713115
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -44.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -504.729513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.729513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.729513 (E_RNA)
where:
Base-Base interactions energy: -364.439
where: short stacking energy: -138.015
Base-Backbone interact. energy: -0.015
local terms energy: -140.275674
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -42.758
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: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -478.978355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.978355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.978355 (E_RNA)
where:
Base-Base interactions energy: -349.759
where: short stacking energy: -133.497
Base-Backbone interact. energy: -0.145
local terms energy: -129.074289
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -41.541
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: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -126.524863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.524863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.524863 (E_RNA)
where:
Base-Base interactions energy: -46.613
where: short stacking energy: -37.931
Base-Backbone interact. energy: -0.240
local terms energy: -80.786791
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -16.266
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: 1.115 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -538.575929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.575929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.575929 (E_RNA)
where:
Base-Base interactions energy: -388.725
where: short stacking energy: -155.621
Base-Backbone interact. energy: -0.006
local terms energy: -149.845297
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -29.894
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -46.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -542.311568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.311568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.311568 (E_RNA)
where:
Base-Base interactions energy: -395.189
where: short stacking energy: -155.673
Base-Backbone interact. energy: -0.846
local terms energy: -146.276022
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -44.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -515.875518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.875518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.875518 (E_RNA)
where:
Base-Base interactions energy: -366.763
where: short stacking energy: -143.200
Base-Backbone interact. energy: -0.262
local terms energy: -148.851041
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -31.321
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -512.954122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.954122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.954122 (E_RNA)
where:
Base-Base interactions energy: -366.279
where: short stacking energy: -140.411
Base-Backbone interact. energy: -0.310
local terms energy: -146.365253
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -32.696
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -43.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -523.068174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.068174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.068174 (E_RNA)
where:
Base-Base interactions energy: -373.860
where: short stacking energy: -140.443
Base-Backbone interact. energy: -0.001
local terms energy: -149.207381
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -42.604
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: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -498.341402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.341402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.341402 (E_RNA)
where:
Base-Base interactions energy: -365.758
where: short stacking energy: -146.142
Base-Backbone interact. energy: -0.006
local terms energy: -132.577539
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -42.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -494.367592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.367592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.367592 (E_RNA)
where:
Base-Base interactions energy: -361.032
where: short stacking energy: -143.505
Base-Backbone interact. energy: -0.187
local terms energy: -133.149090
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -45.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -497.748073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.748073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.748073 (E_RNA)
where:
Base-Base interactions energy: -363.794
where: short stacking energy: -141.593
Base-Backbone interact. energy: -0.008
local terms energy: -133.945623
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -44.558
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: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -452.855151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.855151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.855151 (E_RNA)
where:
Base-Base interactions energy: -311.730
where: short stacking energy: -117.847
Base-Backbone interact. energy: -0.427
local terms energy: -140.698246
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -38.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -121.266136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.266136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.266136 (E_RNA)
where:
Base-Base interactions energy: -29.668
where: short stacking energy: -25.377
Base-Backbone interact. energy: 0.265
local terms energy: -91.862394
where:
bonds (distance) C4'-P energy: -33.665
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -2.894
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: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -547.615623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.615623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.615623 (E_RNA)
where:
Base-Base interactions energy: -398.637
where: short stacking energy: -156.463
Base-Backbone interact. energy: -0.001
local terms energy: -148.977360
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -47.346
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -542.392201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.392201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.392201 (E_RNA)
where:
Base-Base interactions energy: -390.656
where: short stacking energy: -151.126
Base-Backbone interact. energy: -0.066
local terms energy: -151.670177
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -520.631827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.631827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.631827 (E_RNA)
where:
Base-Base interactions energy: -376.607
where: short stacking energy: -145.124
Base-Backbone interact. energy: -0.000
local terms energy: -144.024405
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -25.949
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -44.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -523.238061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.238061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.238061 (E_RNA)
where:
Base-Base interactions energy: -371.997
where: short stacking energy: -143.341
Base-Backbone interact. energy: -0.001
local terms energy: -151.239572
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -45.655
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -528.761153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.761153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.761153 (E_RNA)
where:
Base-Base interactions energy: -380.369
where: short stacking energy: -141.465
Base-Backbone interact. energy: -0.002
local terms energy: -148.390234
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -44.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -518.481106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.481106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.481106 (E_RNA)
where:
Base-Base interactions energy: -368.119
where: short stacking energy: -139.498
Base-Backbone interact. energy: -0.588
local terms energy: -149.774128
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -45.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -495.062097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.062097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.062097 (E_RNA)
where:
Base-Base interactions energy: -354.556
where: short stacking energy: -134.474
Base-Backbone interact. energy: -0.002
local terms energy: -144.350858
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.848 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -442.991856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.991856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.991856 (E_RNA)
where:
Base-Base interactions energy: -310.695
where: short stacking energy: -119.147
Base-Backbone interact. energy: -0.480
local terms energy: -131.817362
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -37.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -475.091097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.091097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.091097 (E_RNA)
where:
Base-Base interactions energy: -345.053
where: short stacking energy: -130.092
Base-Backbone interact. energy: -0.202
local terms energy: -129.836527
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -35.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -130.737103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.737103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.737103 (E_RNA)
where:
Base-Base interactions energy: -61.499
where: short stacking energy: -32.815
Base-Backbone interact. energy: 0.782
local terms energy: -70.020004
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -7.611
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: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -544.611167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.611167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.611167 (E_RNA)
where:
Base-Base interactions energy: -388.856
where: short stacking energy: -154.556
Base-Backbone interact. energy: -0.000
local terms energy: -155.754574
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -538.857335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.857335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.857335 (E_RNA)
where:
Base-Base interactions energy: -385.974
where: short stacking energy: -151.911
Base-Backbone interact. energy: -0.297
local terms energy: -152.653990
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -31.098
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -523.797443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.797443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.797443 (E_RNA)
where:
Base-Base interactions energy: -378.164
where: short stacking energy: -137.975
Base-Backbone interact. energy: -0.030
local terms energy: -145.603396
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: -46.154
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -518.386823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.386823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.386823 (E_RNA)
where:
Base-Base interactions energy: -375.977
where: short stacking energy: -143.092
Base-Backbone interact. energy: 1.195
local terms energy: -143.604713
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -24.647
tors. eta vs tors. theta energy: -45.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -512.833819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.833819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.833819 (E_RNA)
where:
Base-Base interactions energy: -370.461
where: short stacking energy: -136.604
Base-Backbone interact. energy: -0.003
local terms energy: -143.149022
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -45.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.779 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -502.529383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.529383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.529383 (E_RNA)
where:
Base-Base interactions energy: -355.487
where: short stacking energy: -130.379
Base-Backbone interact. energy: -0.183
local terms energy: -146.859731
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -41.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -490.710905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.710905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.710905 (E_RNA)
where:
Base-Base interactions energy: -348.050
where: short stacking energy: -132.019
Base-Backbone interact. energy: -0.003
local terms energy: -142.657448
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -44.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -477.782160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.782160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.782160 (E_RNA)
where:
Base-Base interactions energy: -358.681
where: short stacking energy: -134.915
Base-Backbone interact. energy: 0.983
local terms energy: -120.083817
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -38.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -448.281451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.281451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.281451 (E_RNA)
where:
Base-Base interactions energy: -325.777
where: short stacking energy: -124.076
Base-Backbone interact. energy: 0.711
local terms energy: -123.215019
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -37.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -118.918563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.918563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.918563 (E_RNA)
where:
Base-Base interactions energy: -48.176
where: short stacking energy: -36.739
Base-Backbone interact. energy: -1.720
local terms energy: -69.022733
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -3.186
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: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -543.747980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.747980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.747980 (E_RNA)
where:
Base-Base interactions energy: -393.668
where: short stacking energy: -153.990
Base-Backbone interact. energy: -0.000
local terms energy: -150.896252
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -50.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.817 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -547.638561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.638561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.638561 (E_RNA)
where:
Base-Base interactions energy: -387.309
where: short stacking energy: -145.849
Base-Backbone interact. energy: -0.001
local terms energy: -160.328252
where:
bonds (distance) C4'-P energy: -27.220
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -47.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -519.330875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.330875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.330875 (E_RNA)
where:
Base-Base interactions energy: -378.397
where: short stacking energy: -143.301
Base-Backbone interact. energy: -0.015
local terms energy: -140.918888
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -511.960806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.960806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.960806 (E_RNA)
where:
Base-Base interactions energy: -366.446
where: short stacking energy: -141.581
Base-Backbone interact. energy: 0.938
local terms energy: -146.452527
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -23.119
tors. eta vs tors. theta energy: -47.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -523.457972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.457972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.457972 (E_RNA)
where:
Base-Base interactions energy: -378.528
where: short stacking energy: -143.445
Base-Backbone interact. energy: -0.050
local terms energy: -144.879899
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: -45.006
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: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -495.309632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.309632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.309632 (E_RNA)
where:
Base-Base interactions energy: -361.903
where: short stacking energy: -134.407
Base-Backbone interact. energy: 0.458
local terms energy: -137.413945
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -40.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.550 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -490.410867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.410867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.410867 (E_RNA)
where:
Base-Base interactions energy: -346.432
where: short stacking energy: -135.824
Base-Backbone interact. energy: -0.001
local terms energy: -143.978068
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -40.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -459.998236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.998236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.998236 (E_RNA)
where:
Base-Base interactions energy: -337.867
where: short stacking energy: -117.023
Base-Backbone interact. energy: 0.233
local terms energy: -122.365026
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -40.692
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: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -408.147080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.147080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.147080 (E_RNA)
where:
Base-Base interactions energy: -306.725
where: short stacking energy: -119.556
Base-Backbone interact. energy: -0.435
local terms energy: -100.987600
where:
bonds (distance) C4'-P energy: -5.161
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -28.761
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: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -124.571017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.571017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.571017 (E_RNA)
where:
Base-Base interactions energy: -44.083
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.390
local terms energy: -81.633079
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -13.012
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: 1.535 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -549.381718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.381718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.381718 (E_RNA)
where:
Base-Base interactions energy: -396.927
where: short stacking energy: -154.605
Base-Backbone interact. energy: -0.001
local terms energy: -152.454214
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -48.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -535.552335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.552335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.552335 (E_RNA)
where:
Base-Base interactions energy: -388.684
where: short stacking energy: -147.323
Base-Backbone interact. energy: -0.014
local terms energy: -146.854561
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -22.793
tors. eta vs tors. theta energy: -44.913
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: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -524.427073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.427073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.427073 (E_RNA)
where:
Base-Base interactions energy: -377.876
where: short stacking energy: -144.782
Base-Backbone interact. energy: -0.016
local terms energy: -146.535177
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -31.839
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -44.999
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: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -529.366444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.366444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.366444 (E_RNA)
where:
Base-Base interactions energy: -384.622
where: short stacking energy: -148.046
Base-Backbone interact. energy: -0.001
local terms energy: -144.743253
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -44.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -501.277329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.277329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.277329 (E_RNA)
where:
Base-Base interactions energy: -363.082
where: short stacking energy: -133.673
Base-Backbone interact. energy: -0.331
local terms energy: -137.864256
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -40.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -498.405397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.405397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.405397 (E_RNA)
where:
Base-Base interactions energy: -375.176
where: short stacking energy: -145.117
Base-Backbone interact. energy: -0.004
local terms energy: -123.225440
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -27.466
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -43.605
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: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -504.875257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.875257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.875257 (E_RNA)
where:
Base-Base interactions energy: -375.979
where: short stacking energy: -146.220
Base-Backbone interact. energy: -0.011
local terms energy: -128.885204
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -44.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -487.486732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.486732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.486732 (E_RNA)
where:
Base-Base interactions energy: -343.056
where: short stacking energy: -134.834
Base-Backbone interact. energy: -0.001
local terms energy: -144.429417
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -43.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -410.406810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.406810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.406810 (E_RNA)
where:
Base-Base interactions energy: -286.280
where: short stacking energy: -105.000
Base-Backbone interact. energy: -0.276
local terms energy: -123.850868
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -31.919
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: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -117.238459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.238459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.238459 (E_RNA)
where:
Base-Base interactions energy: -47.709
where: short stacking energy: -23.368
Base-Backbone interact. energy: -0.042
local terms energy: -69.487819
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -8.287
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: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -544.250392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.250392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.250392 (E_RNA)
where:
Base-Base interactions energy: -388.007
where: short stacking energy: -150.917
Base-Backbone interact. energy: -0.218
local terms energy: -156.414213
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -28.826
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -49.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -534.592899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.592899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.592899 (E_RNA)
where:
Base-Base interactions energy: -382.275
where: short stacking energy: -146.835
Base-Backbone interact. energy: -0.016
local terms energy: -152.302324
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -42.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -537.477538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.477538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.477538 (E_RNA)
where:
Base-Base interactions energy: -388.492
where: short stacking energy: -155.082
Base-Backbone interact. energy: -0.005
local terms energy: -149.073877
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -28.146
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -46.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.093 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -525.780899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.780899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.780899 (E_RNA)
where:
Base-Base interactions energy: -376.491
where: short stacking energy: -145.174
Base-Backbone interact. energy: -0.001
local terms energy: -149.288523
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -45.467
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -504.862873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.862873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.862873 (E_RNA)
where:
Base-Base interactions energy: -367.719
where: short stacking energy: -137.782
Base-Backbone interact. energy: -0.189
local terms energy: -136.954288
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -38.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -507.601531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.601531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.601531 (E_RNA)
where:
Base-Base interactions energy: -367.305
where: short stacking energy: -134.663
Base-Backbone interact. energy: -0.000
local terms energy: -140.296357
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -33.386
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -491.702393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.702393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.702393 (E_RNA)
where:
Base-Base interactions energy: -355.744
where: short stacking energy: -140.041
Base-Backbone interact. energy: -0.007
local terms energy: -136.032834
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -42.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.081 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -483.919573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.919573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.919573 (E_RNA)
where:
Base-Base interactions energy: -343.058
where: short stacking energy: -131.431
Base-Backbone interact. energy: -0.000
local terms energy: -140.861008
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -43.467
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: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -430.917197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.917197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.917197 (E_RNA)
where:
Base-Base interactions energy: -307.268
where: short stacking energy: -116.663
Base-Backbone interact. energy: 0.123
local terms energy: -123.772547
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -30.583
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -39.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -126.930816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.930816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.930816 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -37.884
Base-Backbone interact. energy: -1.090
local terms energy: -86.311085
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -25.274
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: 4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.857 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -544.225600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.225600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.225600 (E_RNA)
where:
Base-Base interactions energy: -387.250
where: short stacking energy: -146.390
Base-Backbone interact. energy: -0.012
local terms energy: -157.464366
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -44.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.501 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -526.336686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.336686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.336686 (E_RNA)
where:
Base-Base interactions energy: -370.133
where: short stacking energy: -144.114
Base-Backbone interact. energy: -0.067
local terms energy: -156.137315
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -32.768
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -44.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -536.247563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.247563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.247563 (E_RNA)
where:
Base-Base interactions energy: -385.056
where: short stacking energy: -150.162
Base-Backbone interact. energy: -0.001
local terms energy: -153.694538
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -48.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.504 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -524.731580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.731580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.731580 (E_RNA)
where:
Base-Base interactions energy: -374.243
where: short stacking energy: -143.903
Base-Backbone interact. energy: -0.087
local terms energy: -150.401187
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -23.774
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -527.536468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.536468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.536468 (E_RNA)
where:
Base-Base interactions energy: -372.077
where: short stacking energy: -143.279
Base-Backbone interact. energy: -0.003
local terms energy: -155.456537
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -46.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -509.894310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.894310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.894310 (E_RNA)
where:
Base-Base interactions energy: -375.247
where: short stacking energy: -144.242
Base-Backbone interact. energy: -0.075
local terms energy: -134.572208
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -44.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -501.805167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.805167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.805167 (E_RNA)
where:
Base-Base interactions energy: -362.822
where: short stacking energy: -140.366
Base-Backbone interact. energy: -0.005
local terms energy: -138.978556
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -47.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -479.954805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.954805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.954805 (E_RNA)
where:
Base-Base interactions energy: -335.136
where: short stacking energy: -136.894
Base-Backbone interact. energy: -0.005
local terms energy: -144.814661
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -29.682
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -44.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -409.520473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.520473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.520473 (E_RNA)
where:
Base-Base interactions energy: -278.643
where: short stacking energy: -109.449
Base-Backbone interact. energy: -0.652
local terms energy: -130.225230
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -36.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -121.569335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.569335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.569335 (E_RNA)
where:
Base-Base interactions energy: -44.307
where: short stacking energy: -22.586
Base-Backbone interact. energy: -0.301
local terms energy: -77.213881
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -7.657
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: 0.253 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -553.280732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.280732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.280732 (E_RNA)
where:
Base-Base interactions energy: -396.994
where: short stacking energy: -156.939
Base-Backbone interact. energy: -0.001
local terms energy: -156.285760
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -25.437
tors. eta vs tors. theta energy: -46.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -520.616575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.616575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.616575 (E_RNA)
where:
Base-Base interactions energy: -369.502
where: short stacking energy: -143.085
Base-Backbone interact. energy: -0.239
local terms energy: -150.875235
where:
bonds (distance) C4'-P energy: -29.926
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -42.005
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: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -526.832319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.832319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.832319 (E_RNA)
where:
Base-Base interactions energy: -376.601
where: short stacking energy: -148.939
Base-Backbone interact. energy: -0.183
local terms energy: -150.048939
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -46.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -513.432410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.432410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.432410 (E_RNA)
where:
Base-Base interactions energy: -363.715
where: short stacking energy: -143.150
Base-Backbone interact. energy: -0.214
local terms energy: -149.503416
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -47.195
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -512.367643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.367643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.367643 (E_RNA)
where:
Base-Base interactions energy: -376.156
where: short stacking energy: -144.325
Base-Backbone interact. energy: -0.495
local terms energy: -135.716794
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -44.470
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: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -514.632986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.632986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.632986 (E_RNA)
where:
Base-Base interactions energy: -366.427
where: short stacking energy: -141.327
Base-Backbone interact. energy: -0.009
local terms energy: -148.196947
where:
bonds (distance) C4'-P energy: -25.680
bonds (distance) P-C4' energy: -29.200
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -45.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -480.968506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.968506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.968506 (E_RNA)
where:
Base-Base interactions energy: -338.997
where: short stacking energy: -130.379
Base-Backbone interact. energy: -0.235
local terms energy: -141.737371
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -28.536
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -40.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -493.845827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.845827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.845827 (E_RNA)
where:
Base-Base interactions energy: -362.881
where: short stacking energy: -139.148
Base-Backbone interact. energy: 1.059
local terms energy: -132.024310
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -43.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -410.427019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.427019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.427019 (E_RNA)
where:
Base-Base interactions energy: -289.187
where: short stacking energy: -114.451
Base-Backbone interact. energy: -0.823
local terms energy: -120.417256
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -30.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -119.694533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.694533 (E_RNA)
where:
Base-Base interactions energy: -42.102
where: short stacking energy: -27.646
Base-Backbone interact. energy: 0.302
local terms energy: -79.192821
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -16.634
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: 1.298 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -551.496110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.496110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.496110 (E_RNA)
where:
Base-Base interactions energy: -389.380
where: short stacking energy: -153.773
Base-Backbone interact. energy: -0.000
local terms energy: -162.115462
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -26.791
tors. eta vs tors. theta energy: -46.981
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: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -536.381752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.381752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.381752 (E_RNA)
where:
Base-Base interactions energy: -386.832
where: short stacking energy: -149.428
Base-Backbone interact. energy: -0.001
local terms energy: -149.866924
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.318 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -518.657896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.657896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.657896 (E_RNA)
where:
Base-Base interactions energy: -375.388
where: short stacking energy: -146.933
Base-Backbone interact. energy: -0.042
local terms energy: -143.228063
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -512.164453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.164453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.164453 (E_RNA)
where:
Base-Base interactions energy: -367.126
where: short stacking energy: -139.767
Base-Backbone interact. energy: -0.027
local terms energy: -145.011551
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -45.647
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: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -514.282901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.282901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.282901 (E_RNA)
where:
Base-Base interactions energy: -372.704
where: short stacking energy: -138.665
Base-Backbone interact. energy: -0.026
local terms energy: -141.553134
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -45.653
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: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -494.835278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.835278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.835278 (E_RNA)
where:
Base-Base interactions energy: -360.971
where: short stacking energy: -131.440
Base-Backbone interact. energy: -0.150
local terms energy: -134.723208
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -44.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.009 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -504.150605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.150605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.150605 (E_RNA)
where:
Base-Base interactions energy: -364.342
where: short stacking energy: -144.348
Base-Backbone interact. energy: -0.338
local terms energy: -139.604531
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -45.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.134 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -492.088723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.088723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.088723 (E_RNA)
where:
Base-Base interactions energy: -348.617
where: short stacking energy: -133.386
Base-Backbone interact. energy: -0.046
local terms energy: -143.425442
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -43.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -435.068728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.068728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.068728 (E_RNA)
where:
Base-Base interactions energy: -296.000
where: short stacking energy: -119.283
Base-Backbone interact. energy: -0.174
local terms energy: -138.894407
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -35.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -121.779137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.779137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.779137 (E_RNA)
where:
Base-Base interactions energy: -31.745
where: short stacking energy: -23.082
Base-Backbone interact. energy: -0.057
local terms energy: -89.976367
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -543.170170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.170170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.170170 (E_RNA)
where:
Base-Base interactions energy: -390.468
where: short stacking energy: -151.390
Base-Backbone interact. energy: -0.012
local terms energy: -153.372325
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -45.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.682 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -536.321365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.321365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.321365 (E_RNA)
where:
Base-Base interactions energy: -382.430
where: short stacking energy: -149.753
Base-Backbone interact. energy: -0.001
local terms energy: -153.890592
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -47.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -541.454465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.454465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.454465 (E_RNA)
where:
Base-Base interactions energy: -387.845
where: short stacking energy: -149.474
Base-Backbone interact. energy: -0.157
local terms energy: -153.452402
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -28.575
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -44.739
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: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -525.586602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.586602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.586602 (E_RNA)
where:
Base-Base interactions energy: -378.266
where: short stacking energy: -145.015
Base-Backbone interact. energy: -0.001
local terms energy: -147.319303
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -45.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -531.567109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.567109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.567109 (E_RNA)
where:
Base-Base interactions energy: -389.628
where: short stacking energy: -155.674
Base-Backbone interact. energy: -0.003
local terms energy: -141.935933
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -47.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -504.825552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.825552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.825552 (E_RNA)
where:
Base-Base interactions energy: -355.826
where: short stacking energy: -143.670
Base-Backbone interact. energy: -0.826
local terms energy: -148.173142
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -42.591
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: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -499.800861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.800861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.800861 (E_RNA)
where:
Base-Base interactions energy: -357.220
where: short stacking energy: -142.778
Base-Backbone interact. energy: -0.003
local terms energy: -142.578041
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -47.738
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: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -471.554186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.554186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.554186 (E_RNA)
where:
Base-Base interactions energy: -344.406
where: short stacking energy: -134.763
Base-Backbone interact. energy: 0.498
local terms energy: -128.271075
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -43.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.625 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -414.959719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.959719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.959719 (E_RNA)
where:
Base-Base interactions energy: -296.880
where: short stacking energy: -108.175
Base-Backbone interact. energy: -1.641
local terms energy: -116.438685
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -123.909729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.909729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.909729 (E_RNA)
where:
Base-Base interactions energy: -45.637
where: short stacking energy: -24.232
Base-Backbone interact. energy: 4.296
local terms energy: -82.567977
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -8.899
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: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -541.598488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.598488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.598488 (E_RNA)
where:
Base-Base interactions energy: -387.831
where: short stacking energy: -144.976
Base-Backbone interact. energy: -0.092
local terms energy: -154.241195
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -29.605
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -44.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.566 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -542.860033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.860033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.860033 (E_RNA)
where:
Base-Base interactions energy: -386.898
where: short stacking energy: -150.809
Base-Backbone interact. energy: -0.632
local terms energy: -155.330315
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -44.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -518.947130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.947130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.947130 (E_RNA)
where:
Base-Base interactions energy: -374.187
where: short stacking energy: -143.276
Base-Backbone interact. energy: -0.056
local terms energy: -145.697273
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.992 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -527.555133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.555133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.555133 (E_RNA)
where:
Base-Base interactions energy: -379.220
where: short stacking energy: -150.918
Base-Backbone interact. energy: -0.001
local terms energy: -148.333720
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -47.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -516.560604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.560604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.560604 (E_RNA)
where:
Base-Base interactions energy: -370.137
where: short stacking energy: -140.741
Base-Backbone interact. energy: -0.004
local terms energy: -146.420247
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -47.795
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: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -500.901232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.901232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.901232 (E_RNA)
where:
Base-Base interactions energy: -356.145
where: short stacking energy: -134.919
Base-Backbone interact. energy: -0.004
local terms energy: -144.751740
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -46.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -497.612434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.612434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.612434 (E_RNA)
where:
Base-Base interactions energy: -347.487
where: short stacking energy: -140.649
Base-Backbone interact. energy: -0.005
local terms energy: -150.119697
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -32.409
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -44.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -473.263052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.263052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.263052 (E_RNA)
where:
Base-Base interactions energy: -347.602
where: short stacking energy: -128.408
Base-Backbone interact. energy: -0.507
local terms energy: -128.927031
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.773 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -383.606880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.606880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.606880 (E_RNA)
where:
Base-Base interactions energy: -262.753
where: short stacking energy: -94.486
Base-Backbone interact. energy: -0.156
local terms energy: -120.697919
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -25.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -148.858123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.858123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.858123 (E_RNA)
where:
Base-Base interactions energy: -72.298
where: short stacking energy: -35.964
Base-Backbone interact. energy: 0.706
local terms energy: -77.265974
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -0.552
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: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -539.606998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.606998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.606998 (E_RNA)
where:
Base-Base interactions energy: -383.594
where: short stacking energy: -150.941
Base-Backbone interact. energy: -0.002
local terms energy: -156.011639
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -30.652
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -47.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -536.694855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.694855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.694855 (E_RNA)
where:
Base-Base interactions energy: -385.144
where: short stacking energy: -146.044
Base-Backbone interact. energy: -0.000
local terms energy: -152.731764
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -47.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.181 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -526.062831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.062831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.062831 (E_RNA)
where:
Base-Base interactions energy: -381.997
where: short stacking energy: -149.609
Base-Backbone interact. energy: -0.000
local terms energy: -144.065921
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -44.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -528.061245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.061245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.061245 (E_RNA)
where:
Base-Base interactions energy: -378.116
where: short stacking energy: -139.604
Base-Backbone interact. energy: -0.001
local terms energy: -149.944784
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -47.202
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: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -518.834404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.834404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.834404 (E_RNA)
where:
Base-Base interactions energy: -371.064
where: short stacking energy: -138.651
Base-Backbone interact. energy: -0.630
local terms energy: -147.139761
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -46.524
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: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -504.376028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.376028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.376028 (E_RNA)
where:
Base-Base interactions energy: -371.789
where: short stacking energy: -140.041
Base-Backbone interact. energy: -0.123
local terms energy: -132.464083
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -42.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -480.193203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.193203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.193203 (E_RNA)
where:
Base-Base interactions energy: -343.329
where: short stacking energy: -126.531
Base-Backbone interact. energy: 0.678
local terms energy: -137.832691
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -40.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.290 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -483.813007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.813007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.813007 (E_RNA)
where:
Base-Base interactions energy: -347.124
where: short stacking energy: -141.641
Base-Backbone interact. energy: -0.001
local terms energy: -136.688072
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -45.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -388.418379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.418379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.418379 (E_RNA)
where:
Base-Base interactions energy: -271.721
where: short stacking energy: -112.829
Base-Backbone interact. energy: -0.049
local terms energy: -116.648440
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -28.575
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -26.930
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: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -150.897548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.897548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.897548 (E_RNA)
where:
Base-Base interactions energy: -75.296
where: short stacking energy: -30.171
Base-Backbone interact. energy: 3.396
local terms energy: -78.997947
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: 5.272
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: 267
Temperature: 0.900000
Total energy: -540.901104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.901104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.901104 (E_RNA)
where:
Base-Base interactions energy: -387.158
where: short stacking energy: -149.201
Base-Backbone interact. energy: -0.001
local terms energy: -155.208306
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -48.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.467 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -529.615417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.615417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.615417 (E_RNA)
where:
Base-Base interactions energy: -384.875
where: short stacking energy: -146.073
Base-Backbone interact. energy: -0.044
local terms energy: -144.696238
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -46.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -527.458151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.458151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.458151 (E_RNA)
where:
Base-Base interactions energy: -378.042
where: short stacking energy: -143.881
Base-Backbone interact. energy: -0.000
local terms energy: -149.415395
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -43.176
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: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -527.187774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.187774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.187774 (E_RNA)
where:
Base-Base interactions energy: -385.488
where: short stacking energy: -147.369
Base-Backbone interact. energy: -0.001
local terms energy: -141.698678
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -45.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -515.910865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.910865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.910865 (E_RNA)
where:
Base-Base interactions energy: -375.617
where: short stacking energy: -142.124
Base-Backbone interact. energy: -0.037
local terms energy: -140.257528
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -45.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -494.502591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.502591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.502591 (E_RNA)
where:
Base-Base interactions energy: -353.837
where: short stacking energy: -127.158
Base-Backbone interact. energy: -0.532
local terms energy: -141.643384
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -45.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.510 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -476.089973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.089973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.089973 (E_RNA)
where:
Base-Base interactions energy: -348.867
where: short stacking energy: -135.803
Base-Backbone interact. energy: -0.005
local terms energy: -127.217933
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -41.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -478.053675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.053675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.053675 (E_RNA)
where:
Base-Base interactions energy: -354.034
where: short stacking energy: -136.942
Base-Backbone interact. energy: 0.440
local terms energy: -124.459784
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -43.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -384.050029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.050029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.050029 (E_RNA)
where:
Base-Base interactions energy: -272.644
where: short stacking energy: -100.735
Base-Backbone interact. energy: -0.300
local terms energy: -111.105608
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -29.182
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: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -122.077233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.077233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.077233 (E_RNA)
where:
Base-Base interactions energy: -35.962
where: short stacking energy: -31.156
Base-Backbone interact. energy: 0.204
local terms energy: -87.349488
where:
bonds (distance) C4'-P energy: -26.198
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -14.868
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: 1.031 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -534.108449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.108449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.108449 (E_RNA)
where:
Base-Base interactions energy: -383.572
where: short stacking energy: -145.835
Base-Backbone interact. energy: -0.165
local terms energy: -150.371515
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -42.955
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: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -542.450259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.450259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.450259 (E_RNA)
where:
Base-Base interactions energy: -387.044
where: short stacking energy: -148.921
Base-Backbone interact. energy: -0.001
local terms energy: -155.405772
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -48.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -532.269363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.269363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.269363 (E_RNA)
where:
Base-Base interactions energy: -380.953
where: short stacking energy: -138.648
Base-Backbone interact. energy: -0.158
local terms energy: -151.901143
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -47.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.742 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -522.302691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.302691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.302691 (E_RNA)
where:
Base-Base interactions energy: -373.304
where: short stacking energy: -145.492
Base-Backbone interact. energy: -0.000
local terms energy: -150.929224
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -26.892
tors. eta vs tors. theta energy: -46.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.931 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -508.108500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.108500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.108500 (E_RNA)
where:
Base-Base interactions energy: -369.331
where: short stacking energy: -143.929
Base-Backbone interact. energy: -0.006
local terms energy: -142.588966
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -43.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.818 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -504.214706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.214706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.214706 (E_RNA)
where:
Base-Base interactions energy: -358.385
where: short stacking energy: -141.737
Base-Backbone interact. energy: -0.358
local terms energy: -145.471234
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -29.673
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -44.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -508.275564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.275564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.275564 (E_RNA)
where:
Base-Base interactions energy: -370.548
where: short stacking energy: -143.525
Base-Backbone interact. energy: -0.010
local terms energy: -137.717167
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -44.697
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: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -469.481635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.481635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.481635 (E_RNA)
where:
Base-Base interactions energy: -340.434
where: short stacking energy: -134.174
Base-Backbone interact. energy: -0.295
local terms energy: -128.753029
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -39.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -410.093953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.093953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.093953 (E_RNA)
where:
Base-Base interactions energy: -286.973
where: short stacking energy: -113.349
Base-Backbone interact. energy: -0.283
local terms energy: -122.837984
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -29.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -114.236134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.236134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.236134 (E_RNA)
where:
Base-Base interactions energy: -42.864
where: short stacking energy: -34.865
Base-Backbone interact. energy: -0.428
local terms energy: -70.943962
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: 6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -535.022415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.022415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.022415 (E_RNA)
where:
Base-Base interactions energy: -381.899
where: short stacking energy: -143.708
Base-Backbone interact. energy: -0.006
local terms energy: -153.117698
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -26.350
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -46.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -530.838129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.838129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.838129 (E_RNA)
where:
Base-Base interactions energy: -375.545
where: short stacking energy: -145.831
Base-Backbone interact. energy: -0.003
local terms energy: -155.986687
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -47.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.697 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -527.241941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.241941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.241941 (E_RNA)
where:
Base-Base interactions energy: -371.831
where: short stacking energy: -139.582
Base-Backbone interact. energy: -0.101
local terms energy: -155.310018
where:
bonds (distance) C4'-P energy: -30.841
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -43.029
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: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -522.758649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.758649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.758649 (E_RNA)
where:
Base-Base interactions energy: -373.698
where: short stacking energy: -140.243
Base-Backbone interact. energy: -0.575
local terms energy: -148.516247
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -501.950822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.950822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.950822 (E_RNA)
where:
Base-Base interactions energy: -368.573
where: short stacking energy: -133.132
Base-Backbone interact. energy: -0.003
local terms energy: -134.480877
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -41.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.106 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -499.566904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.566904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.566904 (E_RNA)
where:
Base-Base interactions energy: -356.719
where: short stacking energy: -133.217
Base-Backbone interact. energy: 0.005
local terms energy: -142.852432
where:
bonds (distance) C4'-P energy: -25.887
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -42.807
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: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -491.581548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.581548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.581548 (E_RNA)
where:
Base-Base interactions energy: -352.736
where: short stacking energy: -135.352
Base-Backbone interact. energy: -0.075
local terms energy: -138.771213
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -27.474
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -41.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -504.804282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.804282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.804282 (E_RNA)
where:
Base-Base interactions energy: -374.603
where: short stacking energy: -147.566
Base-Backbone interact. energy: -0.021
local terms energy: -130.180424
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -42.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -430.938569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.938569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.938569 (E_RNA)
where:
Base-Base interactions energy: -310.581
where: short stacking energy: -119.692
Base-Backbone interact. energy: 1.157
local terms energy: -121.514410
where:
bonds (distance) C4'-P energy: -27.095
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -31.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -118.195967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.195967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.195967 (E_RNA)
where:
Base-Base interactions energy: -31.844
where: short stacking energy: -29.696
Base-Backbone interact. energy: -0.935
local terms energy: -89.884496
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: 3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.468 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -542.694548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.694548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.694548 (E_RNA)
where:
Base-Base interactions energy: -385.478
where: short stacking energy: -148.110
Base-Backbone interact. energy: -0.781
local terms energy: -156.435552
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -29.423
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -49.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -545.363783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.363783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.363783 (E_RNA)
where:
Base-Base interactions energy: -393.587
where: short stacking energy: -155.280
Base-Backbone interact. energy: -0.008
local terms energy: -151.768564
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -46.969
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -536.892979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.892979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.892979 (E_RNA)
where:
Base-Base interactions energy: -387.767
where: short stacking energy: -150.038
Base-Backbone interact. energy: -0.008
local terms energy: -150.659906
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: -46.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.541 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -520.262435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.262435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.262435 (E_RNA)
where:
Base-Base interactions energy: -371.859
where: short stacking energy: -142.964
Base-Backbone interact. energy: -0.634
local terms energy: -148.246441
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -46.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.477 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -514.190062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.190062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.190062 (E_RNA)
where:
Base-Base interactions energy: -386.518
where: short stacking energy: -147.532
Base-Backbone interact. energy: -0.004
local terms energy: -127.668222
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -43.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -523.225755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.225755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.225755 (E_RNA)
where:
Base-Base interactions energy: -377.664
where: short stacking energy: -147.750
Base-Backbone interact. energy: 0.772
local terms energy: -146.333205
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: -46.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -488.517917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.517917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.517917 (E_RNA)
where:
Base-Base interactions energy: -351.090
where: short stacking energy: -135.670
Base-Backbone interact. energy: -0.033
local terms energy: -137.395090
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -42.889
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: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -484.061800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.061800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.061800 (E_RNA)
where:
Base-Base interactions energy: -354.690
where: short stacking energy: -136.796
Base-Backbone interact. energy: -0.115
local terms energy: -129.256939
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -42.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -425.552750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.552750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.552750 (E_RNA)
where:
Base-Base interactions energy: -311.449
where: short stacking energy: -125.208
Base-Backbone interact. energy: 0.052
local terms energy: -114.154834
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -31.907
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: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -123.789837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.789837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.789837 (E_RNA)
where:
Base-Base interactions energy: -49.010
where: short stacking energy: -39.392
Base-Backbone interact. energy: -0.304
local terms energy: -74.475201
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -15.158
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: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -539.871540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.871540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.871540 (E_RNA)
where:
Base-Base interactions energy: -386.053
where: short stacking energy: -150.581
Base-Backbone interact. energy: -0.020
local terms energy: -153.799307
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -44.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -532.233648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.233648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.233648 (E_RNA)
where:
Base-Base interactions energy: -377.808
where: short stacking energy: -144.905
Base-Backbone interact. energy: -0.615
local terms energy: -153.810061
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -44.121
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: 271
Temperature: 1.000000
Total energy: -530.886874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.886874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.886874 (E_RNA)
where:
Base-Base interactions energy: -387.175
where: short stacking energy: -153.797
Base-Backbone interact. energy: -0.245
local terms energy: -143.466725
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -46.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -534.890237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.890237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.890237 (E_RNA)
where:
Base-Base interactions energy: -386.261
where: short stacking energy: -148.936
Base-Backbone interact. energy: -0.002
local terms energy: -148.627710
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -48.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -523.660938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.660938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.660938 (E_RNA)
where:
Base-Base interactions energy: -370.916
where: short stacking energy: -143.987
Base-Backbone interact. energy: -0.001
local terms energy: -152.744237
where:
bonds (distance) C4'-P energy: -29.424
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -45.045
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: 271
Temperature: 1.150000
Total energy: -507.383418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.383418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.383418 (E_RNA)
where:
Base-Base interactions energy: -365.306
where: short stacking energy: -134.709
Base-Backbone interact. energy: -0.002
local terms energy: -144.203881
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -44.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.128 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -470.396553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.396553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.396553 (E_RNA)
where:
Base-Base interactions energy: -340.747
where: short stacking energy: -123.190
Base-Backbone interact. energy: -0.008
local terms energy: -129.641385
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -41.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -432.560562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.560562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.560562 (E_RNA)
where:
Base-Base interactions energy: -304.807
where: short stacking energy: -109.594
Base-Backbone interact. energy: -0.278
local terms energy: -127.475875
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -40.103
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: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -470.683536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.683536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.683536 (E_RNA)
where:
Base-Base interactions energy: -339.283
where: short stacking energy: -134.979
Base-Backbone interact. energy: -0.141
local terms energy: -131.260349
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -41.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -114.348221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.348221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.348221 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.583
local terms energy: -81.783589
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -4.416
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: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -537.975258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.975258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.975258 (E_RNA)
where:
Base-Base interactions energy: -382.794
where: short stacking energy: -144.387
Base-Backbone interact. energy: -0.002
local terms energy: -155.179213
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -47.317
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: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -541.755629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.755629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.755629 (E_RNA)
where:
Base-Base interactions energy: -389.080
where: short stacking energy: -150.268
Base-Backbone interact. energy: -0.005
local terms energy: -152.671304
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -47.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -524.362211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.362211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.362211 (E_RNA)
where:
Base-Base interactions energy: -377.240
where: short stacking energy: -147.883
Base-Backbone interact. energy: -0.001
local terms energy: -147.120702
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -45.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -532.420321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.420321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.420321 (E_RNA)
where:
Base-Base interactions energy: -381.992
where: short stacking energy: -152.792
Base-Backbone interact. energy: -0.004
local terms energy: -150.828949
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -45.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.404 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -505.548374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.548374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.548374 (E_RNA)
where:
Base-Base interactions energy: -374.955
where: short stacking energy: -142.090
Base-Backbone interact. energy: -0.002
local terms energy: -132.358612
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -43.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.767 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -510.939196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.939196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.939196 (E_RNA)
where:
Base-Base interactions energy: -367.525
where: short stacking energy: -134.509
Base-Backbone interact. energy: -0.003
local terms energy: -143.411663
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -43.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -499.709530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.709530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.709530 (E_RNA)
where:
Base-Base interactions energy: -374.665
where: short stacking energy: -141.148
Base-Backbone interact. energy: -0.025
local terms energy: -125.018807
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -43.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -469.954917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.954917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.954917 (E_RNA)
where:
Base-Base interactions energy: -341.798
where: short stacking energy: -128.612
Base-Backbone interact. energy: -0.191
local terms energy: -127.966618
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -39.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -434.427315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.427315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.427315 (E_RNA)
where:
Base-Base interactions energy: -301.414
where: short stacking energy: -121.399
Base-Backbone interact. energy: -0.143
local terms energy: -132.870640
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -31.525
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: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -139.621168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.621168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.621168 (E_RNA)
where:
Base-Base interactions energy: -62.160
where: short stacking energy: -40.992
Base-Backbone interact. energy: 0.035
local terms energy: -77.496337
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: 2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -544.004856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.004856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.004856 (E_RNA)
where:
Base-Base interactions energy: -390.833
where: short stacking energy: -151.251
Base-Backbone interact. energy: -0.002
local terms energy: -153.169165
where:
bonds (distance) C4'-P energy: -27.048
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -47.252
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: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -547.561793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.561793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.561793 (E_RNA)
where:
Base-Base interactions energy: -404.104
where: short stacking energy: -158.215
Base-Backbone interact. energy: -0.002
local terms energy: -144.259133
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: -49.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.803 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -539.521910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.521910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.521910 (E_RNA)
where:
Base-Base interactions energy: -395.400
where: short stacking energy: -147.828
Base-Backbone interact. energy: -0.000
local terms energy: -144.121812
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -26.386
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -46.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -520.042859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.042859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.042859 (E_RNA)
where:
Base-Base interactions energy: -372.284
where: short stacking energy: -141.176
Base-Backbone interact. energy: -0.004
local terms energy: -147.886440
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -46.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -522.082073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.082073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.082073 (E_RNA)
where:
Base-Base interactions energy: -382.236
where: short stacking energy: -149.876
Base-Backbone interact. energy: -0.001
local terms energy: -139.845654
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -47.744
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: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -498.183417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.183417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.183417 (E_RNA)
where:
Base-Base interactions energy: -367.482
where: short stacking energy: -143.410
Base-Backbone interact. energy: -0.044
local terms energy: -130.657676
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -43.088
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: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -505.944487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.944487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.944487 (E_RNA)
where:
Base-Base interactions energy: -373.675
where: short stacking energy: -143.581
Base-Backbone interact. energy: -0.001
local terms energy: -132.268363
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -27.151
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -47.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -489.467902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.467902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.467902 (E_RNA)
where:
Base-Base interactions energy: -353.124
where: short stacking energy: -138.095
Base-Backbone interact. energy: -0.056
local terms energy: -136.288339
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -43.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -421.856490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.856490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.856490 (E_RNA)
where:
Base-Base interactions energy: -306.029
where: short stacking energy: -117.602
Base-Backbone interact. energy: 1.347
local terms energy: -117.174913
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -30.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -119.583553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.583553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.583553 (E_RNA)
where:
Base-Base interactions energy: -47.196
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.061
local terms energy: -72.326227
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: 6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -546.162888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.162888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.162888 (E_RNA)
where:
Base-Base interactions energy: -383.581
where: short stacking energy: -144.945
Base-Backbone interact. energy: -0.002
local terms energy: -162.580297
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -532.914468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.914468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.914468 (E_RNA)
where:
Base-Base interactions energy: -382.749
where: short stacking energy: -151.000
Base-Backbone interact. energy: -0.001
local terms energy: -150.867224
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -45.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.703 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -532.368371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.368371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.368371 (E_RNA)
where:
Base-Base interactions energy: -380.986
where: short stacking energy: -151.788
Base-Backbone interact. energy: -0.026
local terms energy: -151.356165
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -45.616
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: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -508.590842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.590842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.590842 (E_RNA)
where:
Base-Base interactions energy: -366.760
where: short stacking energy: -142.722
Base-Backbone interact. energy: -0.013
local terms energy: -142.531362
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -43.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.714 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -519.432202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.432202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.432202 (E_RNA)
where:
Base-Base interactions energy: -376.127
where: short stacking energy: -144.522
Base-Backbone interact. energy: -0.005
local terms energy: -143.300307
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -27.237
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -45.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -498.855042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.855042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.855042 (E_RNA)
where:
Base-Base interactions energy: -366.032
where: short stacking energy: -142.410
Base-Backbone interact. energy: -0.003
local terms energy: -132.819300
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -40.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -493.440270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.440270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.440270 (E_RNA)
where:
Base-Base interactions energy: -359.885
where: short stacking energy: -136.170
Base-Backbone interact. energy: -0.052
local terms energy: -133.503416
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -41.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -476.813733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.813733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.813733 (E_RNA)
where:
Base-Base interactions energy: -345.290
where: short stacking energy: -140.793
Base-Backbone interact. energy: -0.002
local terms energy: -132.101335
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -40.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.579 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -405.720305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.720305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.720305 (E_RNA)
where:
Base-Base interactions energy: -286.340
where: short stacking energy: -108.728
Base-Backbone interact. energy: -0.339
local terms energy: -119.041801
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -29.747
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: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -128.496103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.496103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.496103 (E_RNA)
where:
Base-Base interactions energy: -40.512
where: short stacking energy: -37.680
Base-Backbone interact. energy: 1.952
local terms energy: -89.935748
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -27.572
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -554.075555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.075555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.075555 (E_RNA)
where:
Base-Base interactions energy: -397.445
where: short stacking energy: -156.536
Base-Backbone interact. energy: -0.002
local terms energy: -156.628989
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -24.524
tors. eta vs tors. theta energy: -45.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -531.240862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.240862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.240862 (E_RNA)
where:
Base-Base interactions energy: -381.129
where: short stacking energy: -141.374
Base-Backbone interact. energy: -0.001
local terms energy: -150.111197
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -43.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -533.137288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.137288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.137288 (E_RNA)
where:
Base-Base interactions energy: -386.544
where: short stacking energy: -153.532
Base-Backbone interact. energy: -0.003
local terms energy: -146.590810
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -28.996
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: -48.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -521.179880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.179880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.179880 (E_RNA)
where:
Base-Base interactions energy: -370.106
where: short stacking energy: -145.321
Base-Backbone interact. energy: -0.168
local terms energy: -150.906414
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -44.334
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: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -512.501137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.501137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.501137 (E_RNA)
where:
Base-Base interactions energy: -376.393
where: short stacking energy: -145.224
Base-Backbone interact. energy: -0.290
local terms energy: -138.136381
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -43.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.318 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -505.327081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.327081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.327081 (E_RNA)
where:
Base-Base interactions energy: -362.554
where: short stacking energy: -140.128
Base-Backbone interact. energy: -0.013
local terms energy: -142.760219
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -42.739
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: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -502.948929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.948929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.948929 (E_RNA)
where:
Base-Base interactions energy: -363.613
where: short stacking energy: -139.548
Base-Backbone interact. energy: -0.041
local terms energy: -139.295165
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -27.712
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -43.966
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: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -423.878791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.878791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.878791 (E_RNA)
where:
Base-Base interactions energy: -295.309
where: short stacking energy: -116.669
Base-Backbone interact. energy: 1.365
local terms energy: -129.960608
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -34.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.026 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -486.456981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.456981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.456981 (E_RNA)
where:
Base-Base interactions energy: -346.833
where: short stacking energy: -132.699
Base-Backbone interact. energy: -0.004
local terms energy: -140.684055
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -42.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.064 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -111.399961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.399961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.399961 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -25.117
Base-Backbone interact. energy: -0.491
local terms energy: -78.159338
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -17.647
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: 1.531 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -541.933727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.933727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.933727 (E_RNA)
where:
Base-Base interactions energy: -383.757
where: short stacking energy: -147.748
Base-Backbone interact. energy: -0.000
local terms energy: -158.176593
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -46.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -534.473105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.473105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.473105 (E_RNA)
where:
Base-Base interactions energy: -383.827
where: short stacking energy: -152.714
Base-Backbone interact. energy: -0.001
local terms energy: -150.645235
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -46.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -528.321131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.321131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.321131 (E_RNA)
where:
Base-Base interactions energy: -374.989
where: short stacking energy: -147.206
Base-Backbone interact. energy: -0.012
local terms energy: -153.319726
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -47.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -536.172345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.172345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.172345 (E_RNA)
where:
Base-Base interactions energy: -392.458
where: short stacking energy: -148.069
Base-Backbone interact. energy: -0.001
local terms energy: -143.712944
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -47.268
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: 276
Temperature: 1.100000
Total energy: -506.664352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.664352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.664352 (E_RNA)
where:
Base-Base interactions energy: -366.529
where: short stacking energy: -144.442
Base-Backbone interact. energy: -0.040
local terms energy: -140.095245
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -43.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -519.142980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.142980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.142980 (E_RNA)
where:
Base-Base interactions energy: -372.064
where: short stacking energy: -139.597
Base-Backbone interact. energy: -0.002
local terms energy: -147.077750
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -28.572
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -48.795
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: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -485.454494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.454494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.454494 (E_RNA)
where:
Base-Base interactions energy: -363.850
where: short stacking energy: -143.615
Base-Backbone interact. energy: -0.029
local terms energy: -121.575422
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -20.365
tors. eta vs tors. theta energy: -41.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -426.517963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.517963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.517963 (E_RNA)
where:
Base-Base interactions energy: -301.343
where: short stacking energy: -117.560
Base-Backbone interact. energy: -0.494
local terms energy: -124.681078
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -34.071
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: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -483.666682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.666682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.666682 (E_RNA)
where:
Base-Base interactions energy: -342.030
where: short stacking energy: -134.691
Base-Backbone interact. energy: -0.007
local terms energy: -141.629782
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -41.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -126.186167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.186167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.186167 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -30.050
Base-Backbone interact. energy: -2.035
local terms energy: -92.683917
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.669 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -544.399790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.399790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.399790 (E_RNA)
where:
Base-Base interactions energy: -391.549
where: short stacking energy: -151.412
Base-Backbone interact. energy: -0.000
local terms energy: -152.850891
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -46.045
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: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -537.183917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.183917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.183917 (E_RNA)
where:
Base-Base interactions energy: -383.733
where: short stacking energy: -146.555
Base-Backbone interact. energy: -0.002
local terms energy: -153.449223
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -45.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -530.530620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.530620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.530620 (E_RNA)
where:
Base-Base interactions energy: -383.304
where: short stacking energy: -147.600
Base-Backbone interact. energy: -0.006
local terms energy: -147.220625
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -44.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -528.704391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.704391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.704391 (E_RNA)
where:
Base-Base interactions energy: -381.140
where: short stacking energy: -145.496
Base-Backbone interact. energy: -0.002
local terms energy: -147.562730
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -47.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -496.953514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.953514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.953514 (E_RNA)
where:
Base-Base interactions energy: -359.063
where: short stacking energy: -141.666
Base-Backbone interact. energy: 1.465
local terms energy: -139.356216
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -45.238
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: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -515.416712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.416712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.416712 (E_RNA)
where:
Base-Base interactions energy: -374.283
where: short stacking energy: -144.607
Base-Backbone interact. energy: -0.758
local terms energy: -140.575567
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -45.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.200 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -490.526366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.526366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.526366 (E_RNA)
where:
Base-Base interactions energy: -355.110
where: short stacking energy: -126.439
Base-Backbone interact. energy: -0.009
local terms energy: -135.408161
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -42.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -497.105107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.105107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.105107 (E_RNA)
where:
Base-Base interactions energy: -360.341
where: short stacking energy: -135.452
Base-Backbone interact. energy: -1.077
local terms energy: -138.264076
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -30.272
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -44.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.578 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -414.914509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.914509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.914509 (E_RNA)
where:
Base-Base interactions energy: -291.581
where: short stacking energy: -108.998
Base-Backbone interact. energy: 0.044
local terms energy: -123.377301
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -32.447
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: 277
Temperature: 1.350000
Total energy: -112.105359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.105359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.105359 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -29.083
Base-Backbone interact. energy: 0.737
local terms energy: -81.600472
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: 0.309
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: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -543.037828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.037828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.037828 (E_RNA)
where:
Base-Base interactions energy: -391.558
where: short stacking energy: -152.140
Base-Backbone interact. energy: -0.001
local terms energy: -151.478954
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: -46.113
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: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -538.197349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.197349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.197349 (E_RNA)
where:
Base-Base interactions energy: -388.656
where: short stacking energy: -145.199
Base-Backbone interact. energy: -0.007
local terms energy: -149.533954
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -41.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -532.185465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.185465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.185465 (E_RNA)
where:
Base-Base interactions energy: -381.618
where: short stacking energy: -151.373
Base-Backbone interact. energy: -0.004
local terms energy: -150.563885
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -28.258
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -45.752
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: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -516.285410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.285410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.285410 (E_RNA)
where:
Base-Base interactions energy: -361.281
where: short stacking energy: -143.650
Base-Backbone interact. energy: -0.238
local terms energy: -154.765745
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: -45.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -508.964978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.964978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.964978 (E_RNA)
where:
Base-Base interactions energy: -364.914
where: short stacking energy: -135.568
Base-Backbone interact. energy: -0.003
local terms energy: -144.048233
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -45.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -492.887280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.887280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.887280 (E_RNA)
where:
Base-Base interactions energy: -356.799
where: short stacking energy: -140.419
Base-Backbone interact. energy: -0.054
local terms energy: -136.034007
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -42.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -492.521793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.521793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.521793 (E_RNA)
where:
Base-Base interactions energy: -353.354
where: short stacking energy: -132.517
Base-Backbone interact. energy: -0.217
local terms energy: -138.950922
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -42.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -491.492481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.492481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.492481 (E_RNA)
where:
Base-Base interactions energy: -355.539
where: short stacking energy: -136.906
Base-Backbone interact. energy: -0.001
local terms energy: -135.951635
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -42.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -431.633519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.633519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.633519 (E_RNA)
where:
Base-Base interactions energy: -298.602
where: short stacking energy: -120.936
Base-Backbone interact. energy: -0.426
local terms energy: -132.741178
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -40.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.136 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -118.445494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.445494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.445494 (E_RNA)
where:
Base-Base interactions energy: -41.869
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.845
local terms energy: -75.731343
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: 8.226
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: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -544.288389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.288389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.288389 (E_RNA)
where:
Base-Base interactions energy: -382.972
where: short stacking energy: -149.169
Base-Backbone interact. energy: -0.336
local terms energy: -160.980331
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -46.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -545.658352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.658352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.658352 (E_RNA)
where:
Base-Base interactions energy: -391.486
where: short stacking energy: -152.932
Base-Backbone interact. energy: -0.579
local terms energy: -153.593260
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -50.369
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: 279
Temperature: 1.000000
Total energy: -532.959324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.959324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.959324 (E_RNA)
where:
Base-Base interactions energy: -386.593
where: short stacking energy: -151.147
Base-Backbone interact. energy: -0.000
local terms energy: -146.366228
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -49.574
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -521.185203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.185203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.185203 (E_RNA)
where:
Base-Base interactions energy: -372.268
where: short stacking energy: -142.537
Base-Backbone interact. energy: -0.018
local terms energy: -148.898882
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -28.455
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -44.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -523.517211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.517211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.517211 (E_RNA)
where:
Base-Base interactions energy: -377.238
where: short stacking energy: -149.148
Base-Backbone interact. energy: -0.042
local terms energy: -146.236902
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -28.880
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -46.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -492.551005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.551005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.551005 (E_RNA)
where:
Base-Base interactions energy: -350.796
where: short stacking energy: -137.128
Base-Backbone interact. energy: -0.005
local terms energy: -141.749618
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -492.122896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.122896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.122896 (E_RNA)
where:
Base-Base interactions energy: -370.002
where: short stacking energy: -137.027
Base-Backbone interact. energy: -0.082
local terms energy: -122.500923
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -41.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.462 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -467.698103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.698103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.698103 (E_RNA)
where:
Base-Base interactions energy: -346.138
where: short stacking energy: -135.558
Base-Backbone interact. energy: -0.002
local terms energy: -121.624781
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -40.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -431.431474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.431474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.431474 (E_RNA)
where:
Base-Base interactions energy: -309.118
where: short stacking energy: -125.304
Base-Backbone interact. energy: -0.107
local terms energy: -122.514158
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.308 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -132.459082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.459082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.459082 (E_RNA)
where:
Base-Base interactions energy: -56.760
where: short stacking energy: -30.350
Base-Backbone interact. energy: 0.037
local terms energy: -75.736085
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: 3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -554.487410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.487410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.487410 (E_RNA)
where:
Base-Base interactions energy: -389.170
where: short stacking energy: -148.688
Base-Backbone interact. energy: -0.238
local terms energy: -165.078810
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -47.338
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: 280
Temperature: 0.950000
Total energy: -542.506611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.506611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.506611 (E_RNA)
where:
Base-Base interactions energy: -384.146
where: short stacking energy: -148.586
Base-Backbone interact. energy: -0.006
local terms energy: -158.354757
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -48.037
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: 280
Temperature: 1.000000
Total energy: -534.425022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.425022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.425022 (E_RNA)
where:
Base-Base interactions energy: -384.099
where: short stacking energy: -143.844
Base-Backbone interact. energy: -0.002
local terms energy: -150.441757
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -47.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.118 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -533.782388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.782388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.782388 (E_RNA)
where:
Base-Base interactions energy: -390.699
where: short stacking energy: -151.604
Base-Backbone interact. energy: -0.041
local terms energy: -143.041450
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -29.625
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -45.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -517.385506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.385506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.385506 (E_RNA)
where:
Base-Base interactions energy: -375.404
where: short stacking energy: -142.481
Base-Backbone interact. energy: -0.018
local terms energy: -141.963901
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -28.511
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -42.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -502.716916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.716916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.716916 (E_RNA)
where:
Base-Base interactions energy: -364.822
where: short stacking energy: -134.258
Base-Backbone interact. energy: -0.219
local terms energy: -137.676225
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -45.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -499.205093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.205093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.205093 (E_RNA)
where:
Base-Base interactions energy: -362.571
where: short stacking energy: -141.580
Base-Backbone interact. energy: -0.579
local terms energy: -136.055010
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -43.820
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: 280
Temperature: 1.250000
Total energy: -471.224707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.224707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.224707 (E_RNA)
where:
Base-Base interactions energy: -335.520
where: short stacking energy: -122.384
Base-Backbone interact. energy: -0.029
local terms energy: -135.675637
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -37.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -418.113808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.113808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.113808 (E_RNA)
where:
Base-Base interactions energy: -297.533
where: short stacking energy: -113.911
Base-Backbone interact. energy: -0.371
local terms energy: -120.209869
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -34.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -130.250963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.250963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.250963 (E_RNA)
where:
Base-Base interactions energy: -53.367
where: short stacking energy: -28.861
Base-Backbone interact. energy: 0.238
local terms energy: -77.439489
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -29.734
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: 5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -546.068504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.068504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.068504 (E_RNA)
where:
Base-Base interactions energy: -389.531
where: short stacking energy: -155.430
Base-Backbone interact. energy: -0.004
local terms energy: -156.533551
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -32.220
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: -49.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -552.133755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.133755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.133755 (E_RNA)
where:
Base-Base interactions energy: -398.984
where: short stacking energy: -156.279
Base-Backbone interact. energy: -0.001
local terms energy: -153.148369
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: -49.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -543.812854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.812854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.812854 (E_RNA)
where:
Base-Base interactions energy: -384.489
where: short stacking energy: -147.598
Base-Backbone interact. energy: -0.335
local terms energy: -158.988534
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -32.768
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -47.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -523.166244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.166244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.166244 (E_RNA)
where:
Base-Base interactions energy: -373.481
where: short stacking energy: -138.411
Base-Backbone interact. energy: -0.293
local terms energy: -149.549528
where:
bonds (distance) C4'-P energy: -32.128
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -43.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.157 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -523.550622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.550622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.550622 (E_RNA)
where:
Base-Base interactions energy: -380.984
where: short stacking energy: -146.685
Base-Backbone interact. energy: -0.005
local terms energy: -142.561853
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -46.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -519.237398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.237398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.237398 (E_RNA)
where:
Base-Base interactions energy: -375.343
where: short stacking energy: -145.813
Base-Backbone interact. energy: -0.001
local terms energy: -143.893650
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -47.078
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: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -498.293847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.293847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.293847 (E_RNA)
where:
Base-Base interactions energy: -369.475
where: short stacking energy: -141.426
Base-Backbone interact. energy: -0.175
local terms energy: -128.643699
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -46.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -459.459500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.459500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.459500 (E_RNA)
where:
Base-Base interactions energy: -325.777
where: short stacking energy: -123.394
Base-Backbone interact. energy: -0.272
local terms energy: -133.410456
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -39.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -428.714001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.714001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.714001 (E_RNA)
where:
Base-Base interactions energy: -308.959
where: short stacking energy: -114.574
Base-Backbone interact. energy: 0.650
local terms energy: -120.404702
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -35.297
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: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -117.233837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.233837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.233837 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -35.631
Base-Backbone interact. energy: -1.404
local terms energy: -72.453685
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: 12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.476 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -545.226306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.226306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.226306 (E_RNA)
where:
Base-Base interactions energy: -389.830
where: short stacking energy: -149.679
Base-Backbone interact. energy: -0.001
local terms energy: -155.395834
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -47.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -539.946562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.946562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.946562 (E_RNA)
where:
Base-Base interactions energy: -390.309
where: short stacking energy: -151.316
Base-Backbone interact. energy: -0.003
local terms energy: -149.635426
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -48.599
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: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -534.603477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.603477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.603477 (E_RNA)
where:
Base-Base interactions energy: -384.546
where: short stacking energy: -145.141
Base-Backbone interact. energy: -0.001
local terms energy: -150.056380
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -43.434
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: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -534.330660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.330660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.330660 (E_RNA)
where:
Base-Base interactions energy: -394.688
where: short stacking energy: -154.464
Base-Backbone interact. energy: -0.002
local terms energy: -139.993930
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -48.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.353 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -517.626094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.626094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.626094 (E_RNA)
where:
Base-Base interactions energy: -378.480
where: short stacking energy: -145.610
Base-Backbone interact. energy: -0.210
local terms energy: -138.936778
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: -46.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -509.122206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.122206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.122206 (E_RNA)
where:
Base-Base interactions energy: -365.155
where: short stacking energy: -139.613
Base-Backbone interact. energy: -0.042
local terms energy: -143.925209
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -46.026
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: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -506.117264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.117264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.117264 (E_RNA)
where:
Base-Base interactions energy: -368.267
where: short stacking energy: -136.684
Base-Backbone interact. energy: -0.002
local terms energy: -137.848224
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -47.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -425.391054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.391054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.391054 (E_RNA)
where:
Base-Base interactions energy: -307.120
where: short stacking energy: -118.660
Base-Backbone interact. energy: 0.034
local terms energy: -118.305701
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -34.055
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: 282
Temperature: 1.300000
Total energy: -422.931184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.931184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.931184 (E_RNA)
where:
Base-Base interactions energy: -315.281
where: short stacking energy: -112.703
Base-Backbone interact. energy: -0.312
local terms energy: -107.338191
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -38.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -118.862890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.862890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.862890 (E_RNA)
where:
Base-Base interactions energy: -44.853
where: short stacking energy: -19.720
Base-Backbone interact. energy: 1.381
local terms energy: -75.390805
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: 10.587
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: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -552.820656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.820656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.820656 (E_RNA)
where:
Base-Base interactions energy: -387.792
where: short stacking energy: -154.940
Base-Backbone interact. energy: -0.803
local terms energy: -164.226268
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -48.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -541.536894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.536894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.536894 (E_RNA)
where:
Base-Base interactions energy: -390.839
where: short stacking energy: -150.980
Base-Backbone interact. energy: -0.042
local terms energy: -150.656332
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -44.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -534.007865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.007865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.007865 (E_RNA)
where:
Base-Base interactions energy: -384.373
where: short stacking energy: -148.638
Base-Backbone interact. energy: 0.335
local terms energy: -149.969115
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -45.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -523.174183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.174183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.174183 (E_RNA)
where:
Base-Base interactions energy: -380.214
where: short stacking energy: -147.221
Base-Backbone interact. energy: -0.042
local terms energy: -142.918131
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -26.961
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -23.405
tors. eta vs tors. theta energy: -46.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -510.603486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.603486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.603486 (E_RNA)
where:
Base-Base interactions energy: -361.558
where: short stacking energy: -135.892
Base-Backbone interact. energy: -0.042
local terms energy: -149.003706
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -45.065
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: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -503.048085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.048085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.048085 (E_RNA)
where:
Base-Base interactions energy: -359.509
where: short stacking energy: -137.294
Base-Backbone interact. energy: -0.049
local terms energy: -143.489969
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -44.934
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: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -497.437409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.437409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.437409 (E_RNA)
where:
Base-Base interactions energy: -356.599
where: short stacking energy: -134.550
Base-Backbone interact. energy: -0.132
local terms energy: -140.707158
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -434.234212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.234212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.234212 (E_RNA)
where:
Base-Base interactions energy: -311.986
where: short stacking energy: -115.454
Base-Backbone interact. energy: -0.031
local terms energy: -122.216933
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -34.859
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: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -408.823414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.823414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.823414 (E_RNA)
where:
Base-Base interactions energy: -295.716
where: short stacking energy: -112.031
Base-Backbone interact. energy: -0.186
local terms energy: -113.995150
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.073 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -122.500596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.500596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.500596 (E_RNA)
where:
Base-Base interactions energy: -42.394
where: short stacking energy: -34.556
Base-Backbone interact. energy: -0.178
local terms energy: -80.371615
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -12.260
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: 0.443 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -545.794833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.794833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.794833 (E_RNA)
where:
Base-Base interactions energy: -391.672
where: short stacking energy: -153.874
Base-Backbone interact. energy: -0.001
local terms energy: -154.285726
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -46.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.164 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -531.345277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.345277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.345277 (E_RNA)
where:
Base-Base interactions energy: -378.169
where: short stacking energy: -146.171
Base-Backbone interact. energy: -0.473
local terms energy: -152.704205
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -537.569195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.569195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.569195 (E_RNA)
where:
Base-Base interactions energy: -386.400
where: short stacking energy: -150.081
Base-Backbone interact. energy: -0.003
local terms energy: -151.165728
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -26.955
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -522.641948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.641948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.641948 (E_RNA)
where:
Base-Base interactions energy: -381.356
where: short stacking energy: -149.768
Base-Backbone interact. energy: -0.006
local terms energy: -141.564604
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -32.954
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -45.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.285 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -519.242144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.242144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.242144 (E_RNA)
where:
Base-Base interactions energy: -372.313
where: short stacking energy: -140.655
Base-Backbone interact. energy: -0.002
local terms energy: -147.373344
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -44.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.447 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -495.187982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.187982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.187982 (E_RNA)
where:
Base-Base interactions energy: -364.438
where: short stacking energy: -138.624
Base-Backbone interact. energy: -0.003
local terms energy: -130.746292
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -45.262
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: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -496.235001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.235001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.235001 (E_RNA)
where:
Base-Base interactions energy: -356.914
where: short stacking energy: -130.616
Base-Backbone interact. energy: -0.003
local terms energy: -139.347981
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -26.029
tors. eta vs tors. theta energy: -42.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -458.598280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.598280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.598280 (E_RNA)
where:
Base-Base interactions energy: -332.976
where: short stacking energy: -124.924
Base-Backbone interact. energy: -0.022
local terms energy: -125.599934
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -41.293
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: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -415.702193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.702193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.702193 (E_RNA)
where:
Base-Base interactions energy: -291.271
where: short stacking energy: -109.424
Base-Backbone interact. energy: 0.421
local terms energy: -124.852281
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -31.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -114.675563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.675563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.675563 (E_RNA)
where:
Base-Base interactions energy: -40.878
where: short stacking energy: -36.168
Base-Backbone interact. energy: -0.599
local terms energy: -74.448244
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -16.102
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: 1.249 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -548.375162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.375162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.375162 (E_RNA)
where:
Base-Base interactions energy: -391.013
where: short stacking energy: -151.363
Base-Backbone interact. energy: -0.005
local terms energy: -157.962881
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -44.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.605 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -539.732425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.732425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.732425 (E_RNA)
where:
Base-Base interactions energy: -393.025
where: short stacking energy: -155.648
Base-Backbone interact. energy: -0.005
local terms energy: -146.702808
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -45.210
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: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -524.016925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.016925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.016925 (E_RNA)
where:
Base-Base interactions energy: -378.949
where: short stacking energy: -146.337
Base-Backbone interact. energy: -0.019
local terms energy: -145.049358
where:
bonds (distance) C4'-P energy: -27.843
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -43.883
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: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -510.927750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.927750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.927750 (E_RNA)
where:
Base-Base interactions energy: -363.673
where: short stacking energy: -136.505
Base-Backbone interact. energy: -0.001
local terms energy: -147.511536
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -32.542
flat angles P-C4'-P energy: -25.453
tors. eta vs tors. theta energy: -44.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.258 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -511.793024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.793024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.793024 (E_RNA)
where:
Base-Base interactions energy: -374.738
where: short stacking energy: -144.889
Base-Backbone interact. energy: -0.558
local terms energy: -136.497825
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -45.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -510.925747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.925747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.925747 (E_RNA)
where:
Base-Base interactions energy: -365.886
where: short stacking energy: -139.700
Base-Backbone interact. energy: -0.010
local terms energy: -145.029466
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -44.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -493.668917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.668917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.668917 (E_RNA)
where:
Base-Base interactions energy: -354.644
where: short stacking energy: -131.343
Base-Backbone interact. energy: -0.053
local terms energy: -138.971783
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -44.838
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: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -430.551443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.551443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.551443 (E_RNA)
where:
Base-Base interactions energy: -304.866
where: short stacking energy: -113.295
Base-Backbone interact. energy: -0.284
local terms energy: -125.401526
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -35.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -485.425046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.425046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.425046 (E_RNA)
where:
Base-Base interactions energy: -346.900
where: short stacking energy: -130.303
Base-Backbone interact. energy: -0.006
local terms energy: -138.519297
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -44.430
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: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -116.083866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.083866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.083866 (E_RNA)
where:
Base-Base interactions energy: -30.878
where: short stacking energy: -17.077
Base-Backbone interact. energy: -0.215
local terms energy: -84.990747
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: 6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -543.110000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.110000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.110000 (E_RNA)
where:
Base-Base interactions energy: -387.549
where: short stacking energy: -149.971
Base-Backbone interact. energy: -0.000
local terms energy: -155.560427
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -46.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -548.907738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.907738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.907738 (E_RNA)
where:
Base-Base interactions energy: -389.848
where: short stacking energy: -145.339
Base-Backbone interact. energy: -0.001
local terms energy: -159.058690
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -44.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -539.381122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.381122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.381122 (E_RNA)
where:
Base-Base interactions energy: -385.640
where: short stacking energy: -152.538
Base-Backbone interact. energy: -0.002
local terms energy: -153.738288
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -30.311
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -47.082
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: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -534.205680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.205680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.205680 (E_RNA)
where:
Base-Base interactions energy: -382.336
where: short stacking energy: -149.428
Base-Backbone interact. energy: -0.026
local terms energy: -151.875684
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -47.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.032 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -520.368424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.368424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.368424 (E_RNA)
where:
Base-Base interactions energy: -370.254
where: short stacking energy: -135.878
Base-Backbone interact. energy: -0.002
local terms energy: -150.113123
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -45.984
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: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -514.405313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.405313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.405313 (E_RNA)
where:
Base-Base interactions energy: -367.345
where: short stacking energy: -143.702
Base-Backbone interact. energy: -0.156
local terms energy: -147.329408
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -47.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -495.562273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.562273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.562273 (E_RNA)
where:
Base-Base interactions energy: -365.420
where: short stacking energy: -142.737
Base-Backbone interact. energy: -0.288
local terms energy: -129.854229
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -46.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -474.768199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.768199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.768199 (E_RNA)
where:
Base-Base interactions energy: -343.961
where: short stacking energy: -134.935
Base-Backbone interact. energy: -0.027
local terms energy: -131.001899
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -26.660
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -39.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.222 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -489.401901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.401901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.401901 (E_RNA)
where:
Base-Base interactions energy: -350.238
where: short stacking energy: -138.604
Base-Backbone interact. energy: -0.193
local terms energy: -138.971128
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -46.768
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: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -129.796216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.796216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.796216 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -31.950
Base-Backbone interact. energy: -1.373
local terms energy: -76.586348
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -6.991
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: 0.991 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -547.589813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.589813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.589813 (E_RNA)
where:
Base-Base interactions energy: -386.584
where: short stacking energy: -151.312
Base-Backbone interact. energy: -0.631
local terms energy: -160.374562
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -46.457
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: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -538.645269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.645269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.645269 (E_RNA)
where:
Base-Base interactions energy: -390.097
where: short stacking energy: -155.685
Base-Backbone interact. energy: -0.007
local terms energy: -148.540864
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -48.811
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: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -539.692243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.692243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.692243 (E_RNA)
where:
Base-Base interactions energy: -390.080
where: short stacking energy: -147.563
Base-Backbone interact. energy: -0.001
local terms energy: -149.611353
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -47.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -529.408771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.408771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.408771 (E_RNA)
where:
Base-Base interactions energy: -373.967
where: short stacking energy: -145.272
Base-Backbone interact. energy: -0.042
local terms energy: -155.626201
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -30.642
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.227 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -518.492549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.492549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.492549 (E_RNA)
where:
Base-Base interactions energy: -370.803
where: short stacking energy: -141.452
Base-Backbone interact. energy: -0.001
local terms energy: -147.688694
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -43.860
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: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -503.263735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.263735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.263735 (E_RNA)
where:
Base-Base interactions energy: -361.056
where: short stacking energy: -139.031
Base-Backbone interact. energy: -1.478
local terms energy: -140.729219
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -44.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -491.977100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.977100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.977100 (E_RNA)
where:
Base-Base interactions energy: -349.777
where: short stacking energy: -131.393
Base-Backbone interact. energy: -0.005
local terms energy: -142.195211
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -31.088
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -42.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -486.736627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.736627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.736627 (E_RNA)
where:
Base-Base interactions energy: -350.768
where: short stacking energy: -140.729
Base-Backbone interact. energy: -0.017
local terms energy: -135.951562
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -45.264
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: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -470.246972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.246972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.246972 (E_RNA)
where:
Base-Base interactions energy: -351.219
where: short stacking energy: -136.449
Base-Backbone interact. energy: -0.170
local terms energy: -118.857584
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -41.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -120.925805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.925805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.925805 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -21.647
Base-Backbone interact. energy: 0.376
local terms energy: -81.088878
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -17.015
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: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -546.195589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.195589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.195589 (E_RNA)
where:
Base-Base interactions energy: -392.323
where: short stacking energy: -152.397
Base-Backbone interact. energy: -0.001
local terms energy: -153.870771
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -30.173
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -48.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -537.049799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.049799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.049799 (E_RNA)
where:
Base-Base interactions energy: -389.514
where: short stacking energy: -144.592
Base-Backbone interact. energy: 0.344
local terms energy: -147.878835
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -46.556
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: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -524.118935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.118935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.118935 (E_RNA)
where:
Base-Base interactions energy: -379.698
where: short stacking energy: -139.651
Base-Backbone interact. energy: -0.110
local terms energy: -144.310858
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -45.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -530.255595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.255595 (E_RNA)
where:
Base-Base interactions energy: -380.189
where: short stacking energy: -144.019
Base-Backbone interact. energy: -0.008
local terms energy: -150.059052
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -46.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -525.108323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.108323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.108323 (E_RNA)
where:
Base-Base interactions energy: -379.613
where: short stacking energy: -148.507
Base-Backbone interact. energy: -0.580
local terms energy: -144.915324
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -44.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -498.837772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.837772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.837772 (E_RNA)
where:
Base-Base interactions energy: -357.615
where: short stacking energy: -140.117
Base-Backbone interact. energy: -0.070
local terms energy: -141.152435
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -44.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -505.469944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.469944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.469944 (E_RNA)
where:
Base-Base interactions energy: -368.948
where: short stacking energy: -140.871
Base-Backbone interact. energy: -0.010
local terms energy: -136.512228
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -44.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -484.975373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.975373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.975373 (E_RNA)
where:
Base-Base interactions energy: -354.617
where: short stacking energy: -126.937
Base-Backbone interact. energy: -0.003
local terms energy: -130.805840
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -482.846592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.846592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.846592 (E_RNA)
where:
Base-Base interactions energy: -352.089
where: short stacking energy: -136.909
Base-Backbone interact. energy: -0.301
local terms energy: -130.456240
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -43.947
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: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -142.422257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.422257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.422257 (E_RNA)
where:
Base-Base interactions energy: -70.177
where: short stacking energy: -46.820
Base-Backbone interact. energy: -0.569
local terms energy: -71.676080
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -550.904418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.904418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.904418 (E_RNA)
where:
Base-Base interactions energy: -392.689
where: short stacking energy: -153.828
Base-Backbone interact. energy: -0.005
local terms energy: -158.210379
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -50.554
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: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -538.038504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.038504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.038504 (E_RNA)
where:
Base-Base interactions energy: -377.355
where: short stacking energy: -143.264
Base-Backbone interact. energy: -0.001
local terms energy: -160.682644
where:
bonds (distance) C4'-P energy: -29.157
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -45.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -529.757268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.757268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.757268 (E_RNA)
where:
Base-Base interactions energy: -378.902
where: short stacking energy: -143.398
Base-Backbone interact. energy: -0.577
local terms energy: -150.278392
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -30.027
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -43.800
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: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -522.183663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.183663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.183663 (E_RNA)
where:
Base-Base interactions energy: -378.235
where: short stacking energy: -143.237
Base-Backbone interact. energy: -0.242
local terms energy: -143.753357
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -47.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.047 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -523.910728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.910728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.910728 (E_RNA)
where:
Base-Base interactions energy: -376.484
where: short stacking energy: -144.639
Base-Backbone interact. energy: 0.118
local terms energy: -147.544489
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -46.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -504.566906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.566906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.566906 (E_RNA)
where:
Base-Base interactions energy: -359.503
where: short stacking energy: -140.878
Base-Backbone interact. energy: -0.010
local terms energy: -145.054612
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -46.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -498.444641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.444641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.444641 (E_RNA)
where:
Base-Base interactions energy: -371.468
where: short stacking energy: -141.674
Base-Backbone interact. energy: 1.369
local terms energy: -128.345817
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -41.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -484.883492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.883492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.883492 (E_RNA)
where:
Base-Base interactions energy: -349.591
where: short stacking energy: -133.977
Base-Backbone interact. energy: -0.791
local terms energy: -134.501318
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -41.240
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: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -476.787630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.787630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.787630 (E_RNA)
where:
Base-Base interactions energy: -350.590
where: short stacking energy: -131.956
Base-Backbone interact. energy: -0.434
local terms energy: -126.869139
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -40.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.106 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -128.853348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.853348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.853348 (E_RNA)
where:
Base-Base interactions energy: -52.090
where: short stacking energy: -40.060
Base-Backbone interact. energy: -1.026
local terms energy: -75.737232
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -25.168
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -550.068978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.068978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.068978 (E_RNA)
where:
Base-Base interactions energy: -392.943
where: short stacking energy: -152.108
Base-Backbone interact. energy: -0.180
local terms energy: -156.946938
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -48.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -526.943875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.943875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.943875 (E_RNA)
where:
Base-Base interactions energy: -382.616
where: short stacking energy: -148.138
Base-Backbone interact. energy: -0.006
local terms energy: -144.322355
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -45.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -537.806531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.806531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.806531 (E_RNA)
where:
Base-Base interactions energy: -384.233
where: short stacking energy: -149.250
Base-Backbone interact. energy: -0.002
local terms energy: -153.571617
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -47.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -526.261407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.261407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.261407 (E_RNA)
where:
Base-Base interactions energy: -384.774
where: short stacking energy: -144.678
Base-Backbone interact. energy: -0.002
local terms energy: -141.485440
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -46.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -513.839545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.839545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.839545 (E_RNA)
where:
Base-Base interactions energy: -366.617
where: short stacking energy: -144.136
Base-Backbone interact. energy: -0.001
local terms energy: -147.221933
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -42.743
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: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -508.280260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.280260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.280260 (E_RNA)
where:
Base-Base interactions energy: -367.524
where: short stacking energy: -139.306
Base-Backbone interact. energy: -0.068
local terms energy: -140.689024
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -28.490
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -42.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -487.828068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.828068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.828068 (E_RNA)
where:
Base-Base interactions energy: -345.175
where: short stacking energy: -133.351
Base-Backbone interact. energy: -0.003
local terms energy: -142.650567
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -42.404
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: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -475.162446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.162446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.162446 (E_RNA)
where:
Base-Base interactions energy: -344.957
where: short stacking energy: -142.917
Base-Backbone interact. energy: -0.129
local terms energy: -130.902992
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -42.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.827 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -478.580729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.580729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.580729 (E_RNA)
where:
Base-Base interactions energy: -340.662
where: short stacking energy: -136.286
Base-Backbone interact. energy: -0.156
local terms energy: -137.762781
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -41.770
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: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -125.732389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.732389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.732389 (E_RNA)
where:
Base-Base interactions energy: -45.414
where: short stacking energy: -37.051
Base-Backbone interact. energy: 3.397
local terms energy: -83.715595
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -26.856
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: 2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -548.238324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.238324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.238324 (E_RNA)
where:
Base-Base interactions energy: -389.015
where: short stacking energy: -151.873
Base-Backbone interact. energy: -0.065
local terms energy: -159.157958
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -47.814
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: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -538.792725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.792725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.792725 (E_RNA)
where:
Base-Base interactions energy: -385.582
where: short stacking energy: -150.134
Base-Backbone interact. energy: -0.001
local terms energy: -153.209470
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -45.875
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: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -530.691031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.691031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.691031 (E_RNA)
where:
Base-Base interactions energy: -378.560
where: short stacking energy: -145.807
Base-Backbone interact. energy: -0.002
local terms energy: -152.129807
where:
bonds (distance) C4'-P energy: -25.499
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -28.620
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -45.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -529.302292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.302292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.302292 (E_RNA)
where:
Base-Base interactions energy: -382.666
where: short stacking energy: -152.327
Base-Backbone interact. energy: 0.481
local terms energy: -147.117276
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -502.213297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.213297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.213297 (E_RNA)
where:
Base-Base interactions energy: -371.789
where: short stacking energy: -137.980
Base-Backbone interact. energy: -0.002
local terms energy: -130.422011
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -42.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -509.402855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.402855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.402855 (E_RNA)
where:
Base-Base interactions energy: -363.718
where: short stacking energy: -136.707
Base-Backbone interact. energy: -0.012
local terms energy: -145.672324
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -24.878
tors. eta vs tors. theta energy: -41.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -507.801168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.801168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.801168 (E_RNA)
where:
Base-Base interactions energy: -363.507
where: short stacking energy: -143.928
Base-Backbone interact. energy: -0.014
local terms energy: -144.280673
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: -44.172
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: 291
Temperature: 1.250000
Total energy: -493.823458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.823458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.823458 (E_RNA)
where:
Base-Base interactions energy: -349.388
where: short stacking energy: -129.124
Base-Backbone interact. energy: -0.003
local terms energy: -144.431767
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -28.441
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -45.845
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: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -477.180198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.180198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.180198 (E_RNA)
where:
Base-Base interactions energy: -337.516
where: short stacking energy: -130.391
Base-Backbone interact. energy: -1.189
local terms energy: -139.277494
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -39.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.802 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -120.090669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.090669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.090669 (E_RNA)
where:
Base-Base interactions energy: -57.312
where: short stacking energy: -40.460
Base-Backbone interact. energy: -0.200
local terms energy: -65.726545
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: 3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.148 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -544.994041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.994041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.994041 (E_RNA)
where:
Base-Base interactions energy: -388.749
where: short stacking energy: -145.451
Base-Backbone interact. energy: -0.012
local terms energy: -156.233395
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -46.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -541.754129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.754129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.754129 (E_RNA)
where:
Base-Base interactions energy: -387.039
where: short stacking energy: -154.078
Base-Backbone interact. energy: -0.369
local terms energy: -154.346568
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -46.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -538.562519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.562519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.562519 (E_RNA)
where:
Base-Base interactions energy: -382.914
where: short stacking energy: -144.850
Base-Backbone interact. energy: -0.008
local terms energy: -155.639711
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -47.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -521.157998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.157998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.157998 (E_RNA)
where:
Base-Base interactions energy: -382.288
where: short stacking energy: -143.761
Base-Backbone interact. energy: -0.186
local terms energy: -138.683725
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -43.311
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: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -524.449497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.449497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.449497 (E_RNA)
where:
Base-Base interactions energy: -374.862
where: short stacking energy: -139.086
Base-Backbone interact. energy: -0.003
local terms energy: -149.584788
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -46.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -504.412135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.412135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.412135 (E_RNA)
where:
Base-Base interactions energy: -361.966
where: short stacking energy: -138.125
Base-Backbone interact. energy: -0.047
local terms energy: -142.399665
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -43.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -509.231682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.231682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.231682 (E_RNA)
where:
Base-Base interactions energy: -360.970
where: short stacking energy: -136.449
Base-Backbone interact. energy: -0.000
local terms energy: -148.261863
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -44.215
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: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -495.098315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.098315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.098315 (E_RNA)
where:
Base-Base interactions energy: -360.121
where: short stacking energy: -140.084
Base-Backbone interact. energy: -0.001
local terms energy: -136.317827
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -44.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.341 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -482.741935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.741935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.741935 (E_RNA)
where:
Base-Base interactions energy: -347.022
where: short stacking energy: -131.959
Base-Backbone interact. energy: -0.007
local terms energy: -135.712767
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -46.290
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: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -124.670312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.670312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.670312 (E_RNA)
where:
Base-Base interactions energy: -44.923
where: short stacking energy: -30.833
Base-Backbone interact. energy: 0.955
local terms energy: -80.701657
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -17.208
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: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -554.402243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.402243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.402243 (E_RNA)
where:
Base-Base interactions energy: -393.814
where: short stacking energy: -156.347
Base-Backbone interact. energy: -0.412
local terms energy: -160.176074
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -49.291
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: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -543.115246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.115246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.115246 (E_RNA)
where:
Base-Base interactions energy: -389.229
where: short stacking energy: -148.738
Base-Backbone interact. energy: 0.698
local terms energy: -154.584609
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -48.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -543.237518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.237518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.237518 (E_RNA)
where:
Base-Base interactions energy: -390.445
where: short stacking energy: -150.818
Base-Backbone interact. energy: -0.239
local terms energy: -152.553379
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -29.977
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -46.784
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: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -519.304414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.304414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.304414 (E_RNA)
where:
Base-Base interactions energy: -372.948
where: short stacking energy: -144.941
Base-Backbone interact. energy: -0.292
local terms energy: -146.064497
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -44.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -516.840873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.840873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.840873 (E_RNA)
where:
Base-Base interactions energy: -376.165
where: short stacking energy: -143.260
Base-Backbone interact. energy: -0.001
local terms energy: -140.675709
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -46.561
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: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -520.314108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.314108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.314108 (E_RNA)
where:
Base-Base interactions energy: -376.265
where: short stacking energy: -147.937
Base-Backbone interact. energy: -0.007
local terms energy: -144.041846
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -499.850219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.850219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.850219 (E_RNA)
where:
Base-Base interactions energy: -357.036
where: short stacking energy: -137.722
Base-Backbone interact. energy: -0.014
local terms energy: -142.800573
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -42.852
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: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -489.429154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.429154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.429154 (E_RNA)
where:
Base-Base interactions energy: -349.046
where: short stacking energy: -134.104
Base-Backbone interact. energy: -0.011
local terms energy: -140.589329
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -41.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.218 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -487.314639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.314639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.314639 (E_RNA)
where:
Base-Base interactions energy: -349.505
where: short stacking energy: -132.336
Base-Backbone interact. energy: -0.009
local terms energy: -137.800720
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -40.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -126.444434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.444434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.444434 (E_RNA)
where:
Base-Base interactions energy: -57.196
where: short stacking energy: -31.645
Base-Backbone interact. energy: -1.388
local terms energy: -67.860604
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: 9.844
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: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -547.387362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.387362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.387362 (E_RNA)
where:
Base-Base interactions energy: -386.442
where: short stacking energy: -150.060
Base-Backbone interact. energy: -0.239
local terms energy: -160.706316
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -26.761
tors. eta vs tors. theta energy: -47.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -547.726139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.726139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.726139 (E_RNA)
where:
Base-Base interactions energy: -392.135
where: short stacking energy: -150.947
Base-Backbone interact. energy: -0.000
local terms energy: -155.590500
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -47.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -533.415734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.415734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.415734 (E_RNA)
where:
Base-Base interactions energy: -386.926
where: short stacking energy: -147.935
Base-Backbone interact. energy: -0.001
local terms energy: -146.488830
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -45.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -525.411729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.411729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.411729 (E_RNA)
where:
Base-Base interactions energy: -381.685
where: short stacking energy: -147.360
Base-Backbone interact. energy: -0.000
local terms energy: -143.726663
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -27.150
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -43.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -500.996906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.996906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.996906 (E_RNA)
where:
Base-Base interactions energy: -372.416
where: short stacking energy: -144.888
Base-Backbone interact. energy: 2.057
local terms energy: -130.795581
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.158 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -502.815802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.815802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.815802 (E_RNA)
where:
Base-Base interactions energy: -368.022
where: short stacking energy: -142.558
Base-Backbone interact. energy: -0.001
local terms energy: -134.792350
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -43.336
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: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -488.535753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.535753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.535753 (E_RNA)
where:
Base-Base interactions energy: -354.612
where: short stacking energy: -129.827
Base-Backbone interact. energy: -0.072
local terms energy: -133.851381
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -37.118
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: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -492.493193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.493193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.493193 (E_RNA)
where:
Base-Base interactions energy: -354.797
where: short stacking energy: -140.633
Base-Backbone interact. energy: -0.002
local terms energy: -137.694730
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -44.406
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: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -429.628953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.628953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.628953 (E_RNA)
where:
Base-Base interactions energy: -315.548
where: short stacking energy: -119.449
Base-Backbone interact. energy: -0.020
local terms energy: -114.061721
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -33.951
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: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -131.508601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.508601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.508601 (E_RNA)
where:
Base-Base interactions energy: -53.645
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.534
local terms energy: -77.329334
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -547.209247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.209247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.209247 (E_RNA)
where:
Base-Base interactions energy: -389.986
where: short stacking energy: -146.714
Base-Backbone interact. energy: -0.005
local terms energy: -157.217949
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -48.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -547.467164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.467164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.467164 (E_RNA)
where:
Base-Base interactions energy: -393.645
where: short stacking energy: -154.212
Base-Backbone interact. energy: -0.003
local terms energy: -153.989934
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -46.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.170 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -534.920990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.920990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.920990 (E_RNA)
where:
Base-Base interactions energy: -384.397
where: short stacking energy: -149.664
Base-Backbone interact. energy: -0.035
local terms energy: -150.566870
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -48.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -528.399391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.399391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.399391 (E_RNA)
where:
Base-Base interactions energy: -377.130
where: short stacking energy: -142.885
Base-Backbone interact. energy: -0.280
local terms energy: -150.988901
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -45.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -526.317875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.317875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.317875 (E_RNA)
where:
Base-Base interactions energy: -379.908
where: short stacking energy: -150.944
Base-Backbone interact. energy: -0.002
local terms energy: -146.407481
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -45.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -511.509633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.509633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.509633 (E_RNA)
where:
Base-Base interactions energy: -366.032
where: short stacking energy: -142.510
Base-Backbone interact. energy: -0.280
local terms energy: -145.196935
where:
bonds (distance) C4'-P energy: -26.265
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -47.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -501.220635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.220635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.220635 (E_RNA)
where:
Base-Base interactions energy: -356.171
where: short stacking energy: -134.422
Base-Backbone interact. energy: 0.444
local terms energy: -145.494064
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -43.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -432.726937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.726937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.726937 (E_RNA)
where:
Base-Base interactions energy: -303.851
where: short stacking energy: -127.594
Base-Backbone interact. energy: -0.005
local terms energy: -128.870151
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -37.297
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: 295
Temperature: 1.300000
Total energy: -460.725420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.725420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.725420 (E_RNA)
where:
Base-Base interactions energy: -326.492
where: short stacking energy: -129.283
Base-Backbone interact. energy: -0.009
local terms energy: -134.903886
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -25.767
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -38.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.680 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -117.075968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.075968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.075968 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.174
local terms energy: -84.791358
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -9.529
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: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -549.855727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.855727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.855727 (E_RNA)
where:
Base-Base interactions energy: -388.038
where: short stacking energy: -152.420
Base-Backbone interact. energy: -0.007
local terms energy: -161.810756
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -47.736
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -546.487680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.487680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.487680 (E_RNA)
where:
Base-Base interactions energy: -384.191
where: short stacking energy: -149.397
Base-Backbone interact. energy: -0.001
local terms energy: -162.295821
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -47.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -536.314956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.314956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.314956 (E_RNA)
where:
Base-Base interactions energy: -394.165
where: short stacking energy: -151.351
Base-Backbone interact. energy: -0.015
local terms energy: -143.380979
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -42.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.246 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -529.613764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.613764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.613764 (E_RNA)
where:
Base-Base interactions energy: -385.713
where: short stacking energy: -153.133
Base-Backbone interact. energy: -0.001
local terms energy: -144.108152
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -23.547
tors. eta vs tors. theta energy: -46.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.208 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -512.809006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.809006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.809006 (E_RNA)
where:
Base-Base interactions energy: -374.793
where: short stacking energy: -146.873
Base-Backbone interact. energy: -0.014
local terms energy: -138.002170
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -25.344
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -44.942
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: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -516.499098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.499098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.499098 (E_RNA)
where:
Base-Base interactions energy: -367.290
where: short stacking energy: -142.696
Base-Backbone interact. energy: -0.000
local terms energy: -149.209153
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -48.651
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: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -478.414287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.414287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.414287 (E_RNA)
where:
Base-Base interactions energy: -344.828
where: short stacking energy: -126.075
Base-Backbone interact. energy: 0.866
local terms energy: -134.452053
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -39.654
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: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -437.083605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.083605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.083605 (E_RNA)
where:
Base-Base interactions energy: -305.442
where: short stacking energy: -115.395
Base-Backbone interact. energy: -0.966
local terms energy: -130.676058
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -30.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -462.443153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.443153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.443153 (E_RNA)
where:
Base-Base interactions energy: -323.559
where: short stacking energy: -123.767
Base-Backbone interact. energy: 0.117
local terms energy: -139.000288
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -40.794
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: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -108.299482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.299482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.299482 (E_RNA)
where:
Base-Base interactions energy: -53.559
where: short stacking energy: -33.131
Base-Backbone interact. energy: 0.786
local terms energy: -56.819438
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: 6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.293 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -550.365741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.365741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.365741 (E_RNA)
where:
Base-Base interactions energy: -392.071
where: short stacking energy: -151.033
Base-Backbone interact. energy: -0.122
local terms energy: -158.173214
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -49.162
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: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -547.921956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.921956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.921956 (E_RNA)
where:
Base-Base interactions energy: -397.798
where: short stacking energy: -154.433
Base-Backbone interact. energy: -0.000
local terms energy: -150.587130
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -47.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.463 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -538.468908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.468908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.468908 (E_RNA)
where:
Base-Base interactions energy: -387.648
where: short stacking energy: -154.541
Base-Backbone interact. energy: -0.002
local terms energy: -150.819036
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -27.138
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -47.117
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: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -525.359625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.359625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.359625 (E_RNA)
where:
Base-Base interactions energy: -374.148
where: short stacking energy: -146.138
Base-Backbone interact. energy: -0.057
local terms energy: -151.155317
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -45.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -507.346710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.346710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.346710 (E_RNA)
where:
Base-Base interactions energy: -372.149
where: short stacking energy: -139.430
Base-Backbone interact. energy: -0.163
local terms energy: -137.556146
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -29.426
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -42.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.522 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -497.154427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.154427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.154427 (E_RNA)
where:
Base-Base interactions energy: -360.275
where: short stacking energy: -134.290
Base-Backbone interact. energy: -0.054
local terms energy: -136.824594
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -38.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -497.832459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.832459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.832459 (E_RNA)
where:
Base-Base interactions energy: -363.642
where: short stacking energy: -139.155
Base-Backbone interact. energy: -0.001
local terms energy: -134.189104
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -43.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -490.641104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.641104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.641104 (E_RNA)
where:
Base-Base interactions energy: -360.435
where: short stacking energy: -137.000
Base-Backbone interact. energy: 0.003
local terms energy: -130.209620
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -41.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -456.442521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.442521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.442521 (E_RNA)
where:
Base-Base interactions energy: -325.028
where: short stacking energy: -122.909
Base-Backbone interact. energy: -0.001
local terms energy: -133.699381
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -39.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.286 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -119.746935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.746935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.746935 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -30.841
Base-Backbone interact. energy: -0.577
local terms energy: -88.328852
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -13.248
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: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -542.401791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.401791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.401791 (E_RNA)
where:
Base-Base interactions energy: -391.572
where: short stacking energy: -149.076
Base-Backbone interact. energy: -0.157
local terms energy: -150.672588
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -27.521
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -47.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -547.650087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.650087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.650087 (E_RNA)
where:
Base-Base interactions energy: -392.447
where: short stacking energy: -154.218
Base-Backbone interact. energy: -0.001
local terms energy: -155.202554
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -49.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -532.504801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.504801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.504801 (E_RNA)
where:
Base-Base interactions energy: -385.429
where: short stacking energy: -152.254
Base-Backbone interact. energy: -0.000
local terms energy: -147.075259
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -47.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -526.007167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.007167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.007167 (E_RNA)
where:
Base-Base interactions energy: -376.516
where: short stacking energy: -143.171
Base-Backbone interact. energy: -0.003
local terms energy: -149.488568
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -47.476
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: 298
Temperature: 1.100000
Total energy: -499.963029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.963029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.963029 (E_RNA)
where:
Base-Base interactions energy: -363.013
where: short stacking energy: -139.428
Base-Backbone interact. energy: -0.032
local terms energy: -136.917401
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -42.725
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: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -506.961258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.961258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.961258 (E_RNA)
where:
Base-Base interactions energy: -367.452
where: short stacking energy: -137.824
Base-Backbone interact. energy: -0.002
local terms energy: -139.507381
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -44.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -496.469825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.469825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.469825 (E_RNA)
where:
Base-Base interactions energy: -355.836
where: short stacking energy: -139.884
Base-Backbone interact. energy: -0.316
local terms energy: -140.317318
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -27.594
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -45.470
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: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -475.448349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.448349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.448349 (E_RNA)
where:
Base-Base interactions energy: -342.525
where: short stacking energy: -135.690
Base-Backbone interact. energy: -0.045
local terms energy: -132.878971
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -27.009
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -42.553
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -469.459840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.459840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.459840 (E_RNA)
where:
Base-Base interactions energy: -335.302
where: short stacking energy: -124.921
Base-Backbone interact. energy: -0.031
local terms energy: -134.127164
where:
bonds (distance) C4'-P energy: -25.913
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -36.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -143.087266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.087266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.087266 (E_RNA)
where:
Base-Base interactions energy: -58.975
where: short stacking energy: -27.391
Base-Backbone interact. energy: -0.562
local terms energy: -83.550396
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: 2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -540.531284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.531284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.531284 (E_RNA)
where:
Base-Base interactions energy: -383.440
where: short stacking energy: -149.690
Base-Backbone interact. energy: -0.043
local terms energy: -157.048322
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: -45.320
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: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -540.870365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.870365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.870365 (E_RNA)
where:
Base-Base interactions energy: -384.440
where: short stacking energy: -150.262
Base-Backbone interact. energy: -0.003
local terms energy: -156.956307
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -48.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.529 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -532.772151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.772151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.772151 (E_RNA)
where:
Base-Base interactions energy: -382.395
where: short stacking energy: -148.286
Base-Backbone interact. energy: -0.124
local terms energy: -150.252717
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -45.455
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: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -534.730392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.730392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.730392 (E_RNA)
where:
Base-Base interactions energy: -384.631
where: short stacking energy: -152.520
Base-Backbone interact. energy: -0.003
local terms energy: -150.096749
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -48.548
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: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -499.513477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.513477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.513477 (E_RNA)
where:
Base-Base interactions energy: -361.519
where: short stacking energy: -140.998
Base-Backbone interact. energy: -0.085
local terms energy: -137.910083
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -41.784
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: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -502.129165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.129165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.129165 (E_RNA)
where:
Base-Base interactions energy: -354.398
where: short stacking energy: -132.497
Base-Backbone interact. energy: -0.005
local terms energy: -147.726199
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -45.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -508.770279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.770279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.770279 (E_RNA)
where:
Base-Base interactions energy: -363.653
where: short stacking energy: -138.359
Base-Backbone interact. energy: -0.003
local terms energy: -145.292782
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -34.199
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -43.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.178 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -476.881947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.881947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.881947 (E_RNA)
where:
Base-Base interactions energy: -341.980
where: short stacking energy: -130.331
Base-Backbone interact. energy: -0.146
local terms energy: -134.756375
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -26.792
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -36.579
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: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -485.748831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.748831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.748831 (E_RNA)
where:
Base-Base interactions energy: -353.723
where: short stacking energy: -138.099
Base-Backbone interact. energy: -0.123
local terms energy: -131.902412
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -42.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -115.731434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.731434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.731434 (E_RNA)
where:
Base-Base interactions energy: -34.283
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.100
local terms energy: -81.348474
where:
bonds (distance) C4'-P energy: -27.499
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -548.836873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.836873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.836873 (E_RNA)
where:
Base-Base interactions energy: -390.506
where: short stacking energy: -148.690
Base-Backbone interact. energy: -0.000
local terms energy: -158.330236
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -48.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -537.919048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.919048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.919048 (E_RNA)
where:
Base-Base interactions energy: -389.932
where: short stacking energy: -151.297
Base-Backbone interact. energy: -0.003
local terms energy: -147.984654
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -45.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -523.570068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.570068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.570068 (E_RNA)
where:
Base-Base interactions energy: -378.070
where: short stacking energy: -143.963
Base-Backbone interact. energy: -0.001
local terms energy: -145.499254
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -45.121
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: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -522.398500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.398500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.398500 (E_RNA)
where:
Base-Base interactions energy: -375.955
where: short stacking energy: -148.763
Base-Backbone interact. energy: -0.003
local terms energy: -146.440377
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -28.477
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -46.089
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: 300
Temperature: 1.100000
Total energy: -509.780673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.780673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.780673 (E_RNA)
where:
Base-Base interactions energy: -369.656
where: short stacking energy: -146.148
Base-Backbone interact. energy: -0.001
local terms energy: -140.124366
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -43.629
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: 300
Temperature: 1.150000
Total energy: -486.567983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.567983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.567983 (E_RNA)
where:
Base-Base interactions energy: -350.542
where: short stacking energy: -131.451
Base-Backbone interact. energy: -0.032
local terms energy: -135.994386
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -39.472
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: 300
Temperature: 1.200000
Total energy: -473.987166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.987166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.987166 (E_RNA)
where:
Base-Base interactions energy: -352.342
where: short stacking energy: -132.507
Base-Backbone interact. energy: -0.038
local terms energy: -122.102772
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -41.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.496 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -507.981531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.981531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.981531 (E_RNA)
where:
Base-Base interactions energy: -374.409
where: short stacking energy: -142.481
Base-Backbone interact. energy: -0.064
local terms energy: -134.577931
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -41.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.069 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -484.618177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.618177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.618177 (E_RNA)
where:
Base-Base interactions energy: -345.325
where: short stacking energy: -131.178
Base-Backbone interact. energy: 0.066
local terms energy: -139.358748
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -43.288
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: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -127.165532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.165532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.165532 (E_RNA)
where:
Base-Base interactions energy: -46.038
where: short stacking energy: -39.897
Base-Backbone interact. energy: 0.905
local terms energy: -82.032670
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -14.554
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: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -549.456452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.456452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.456452 (E_RNA)
where:
Base-Base interactions energy: -385.478
where: short stacking energy: -149.582
Base-Backbone interact. energy: -0.292
local terms energy: -163.839151
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -30.512
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -47.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.154 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -534.463896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.463896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.463896 (E_RNA)
where:
Base-Base interactions energy: -385.471
where: short stacking energy: -147.955
Base-Backbone interact. energy: -0.009
local terms energy: -148.983648
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -44.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -541.514822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.514822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.514822 (E_RNA)
where:
Base-Base interactions energy: -383.870
where: short stacking energy: -154.283
Base-Backbone interact. energy: -0.009
local terms energy: -157.636084
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -46.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -522.463895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.463895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.463895 (E_RNA)
where:
Base-Base interactions energy: -383.945
where: short stacking energy: -149.611
Base-Backbone interact. energy: -0.002
local terms energy: -138.978585
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -45.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.461 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -505.288302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.288302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.288302 (E_RNA)
where:
Base-Base interactions energy: -370.070
where: short stacking energy: -144.812
Base-Backbone interact. energy: -0.002
local terms energy: -135.216623
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -44.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -499.022545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.022545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.022545 (E_RNA)
where:
Base-Base interactions energy: -372.328
where: short stacking energy: -140.009
Base-Backbone interact. energy: -0.097
local terms energy: -126.597205
where:
bonds (distance) C4'-P energy: -26.783
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -43.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -433.012029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.012029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.012029 (E_RNA)
where:
Base-Base interactions energy: -308.633
where: short stacking energy: -123.920
Base-Backbone interact. energy: -0.113
local terms energy: -124.266271
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -33.972
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: 301
Temperature: 1.250000
Total energy: -457.493676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.493676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.493676 (E_RNA)
where:
Base-Base interactions energy: -333.043
where: short stacking energy: -136.374
Base-Backbone interact. energy: -0.007
local terms energy: -127.017645
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -42.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.574 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -470.652959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.652959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.652959 (E_RNA)
where:
Base-Base interactions energy: -344.746
where: short stacking energy: -125.918
Base-Backbone interact. energy: -0.002
local terms energy: -126.889858
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -38.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.985 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -123.387031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.387031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.387031 (E_RNA)
where:
Base-Base interactions energy: -43.939
where: short stacking energy: -34.359
Base-Backbone interact. energy: -0.640
local terms energy: -78.807842
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -553.848862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.848862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.848862 (E_RNA)
where:
Base-Base interactions energy: -395.802
where: short stacking energy: -150.465
Base-Backbone interact. energy: -0.002
local terms energy: -158.044313
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -24.046
tors. eta vs tors. theta energy: -47.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -542.064149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.064149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.064149 (E_RNA)
where:
Base-Base interactions energy: -380.732
where: short stacking energy: -143.832
Base-Backbone interact. energy: 0.034
local terms energy: -161.624410
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -28.590
flat angles C4'-P-C4' energy: -32.392
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -46.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.258 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -527.962771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.962771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.962771 (E_RNA)
where:
Base-Base interactions energy: -376.662
where: short stacking energy: -148.099
Base-Backbone interact. energy: -0.134
local terms energy: -151.166047
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -47.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -528.575940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.575940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.575940 (E_RNA)
where:
Base-Base interactions energy: -374.312
where: short stacking energy: -143.902
Base-Backbone interact. energy: -0.001
local terms energy: -154.263079
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -47.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -522.260434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.260434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.260434 (E_RNA)
where:
Base-Base interactions energy: -377.216
where: short stacking energy: -142.002
Base-Backbone interact. energy: -0.001
local terms energy: -145.043886
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -43.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -510.202734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.202734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.202734 (E_RNA)
where:
Base-Base interactions energy: -360.430
where: short stacking energy: -144.657
Base-Backbone interact. energy: -0.021
local terms energy: -149.800814
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -45.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.050 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -491.258079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.258079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.258079 (E_RNA)
where:
Base-Base interactions energy: -366.822
where: short stacking energy: -137.598
Base-Backbone interact. energy: -0.013
local terms energy: -125.394271
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.971 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -434.566821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.566821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.566821 (E_RNA)
where:
Base-Base interactions energy: -307.524
where: short stacking energy: -115.096
Base-Backbone interact. energy: 0.130
local terms energy: -127.173639
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -38.663
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: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -463.794370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.794370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.794370 (E_RNA)
where:
Base-Base interactions energy: -357.783
where: short stacking energy: -136.689
Base-Backbone interact. energy: -0.014
local terms energy: -108.842766
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -38.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.845 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -120.399398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.399398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.399398 (E_RNA)
where:
Base-Base interactions energy: -49.837
where: short stacking energy: -33.680
Base-Backbone interact. energy: -0.678
local terms energy: -73.740628
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -12.673
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: 3.856 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -545.144828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.144828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.144828 (E_RNA)
where:
Base-Base interactions energy: -384.308
where: short stacking energy: -147.338
Base-Backbone interact. energy: -0.003
local terms energy: -160.895503
where:
bonds (distance) C4'-P energy: -29.881
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -46.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.061 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -539.470389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.470389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.470389 (E_RNA)
where:
Base-Base interactions energy: -387.360
where: short stacking energy: -149.454
Base-Backbone interact. energy: -0.005
local terms energy: -152.396681
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -45.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.291 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -524.665944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.665944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.665944 (E_RNA)
where:
Base-Base interactions energy: -376.480
where: short stacking energy: -143.829
Base-Backbone interact. energy: -0.003
local terms energy: -148.183171
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -44.057
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: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -527.175540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.175540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.175540 (E_RNA)
where:
Base-Base interactions energy: -377.529
where: short stacking energy: -144.930
Base-Backbone interact. energy: -0.001
local terms energy: -149.645790
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -28.058
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -46.922
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: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -511.281888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.281888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.281888 (E_RNA)
where:
Base-Base interactions energy: -370.866
where: short stacking energy: -136.968
Base-Backbone interact. energy: -0.004
local terms energy: -140.411820
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -27.404
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -43.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -497.180353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.180353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.180353 (E_RNA)
where:
Base-Base interactions energy: -366.149
where: short stacking energy: -140.538
Base-Backbone interact. energy: -0.043
local terms energy: -133.809686
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -47.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.822 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -500.927632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.927632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.927632 (E_RNA)
where:
Base-Base interactions energy: -363.010
where: short stacking energy: -142.371
Base-Backbone interact. energy: 0.473
local terms energy: -138.390248
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -41.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -487.934897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.934897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.934897 (E_RNA)
where:
Base-Base interactions energy: -360.422
where: short stacking energy: -132.710
Base-Backbone interact. energy: -0.046
local terms energy: -127.467587
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -44.309
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: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -447.410946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.410946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.410946 (E_RNA)
where:
Base-Base interactions energy: -326.779
where: short stacking energy: -123.136
Base-Backbone interact. energy: -0.038
local terms energy: -121.066177
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -39.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.472 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -122.707138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.707138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.707138 (E_RNA)
where:
Base-Base interactions energy: -42.111
where: short stacking energy: -27.570
Base-Backbone interact. energy: -1.359
local terms energy: -79.757045
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -9.278
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: 0.519 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -548.090808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.090808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.090808 (E_RNA)
where:
Base-Base interactions energy: -393.036
where: short stacking energy: -155.780
Base-Backbone interact. energy: -0.722
local terms energy: -154.664309
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -23.818
tors. eta vs tors. theta energy: -45.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.331 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -535.918461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.918461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.918461 (E_RNA)
where:
Base-Base interactions energy: -393.481
where: short stacking energy: -150.708
Base-Backbone interact. energy: -0.003
local terms energy: -142.434101
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -47.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -520.597508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.597508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.597508 (E_RNA)
where:
Base-Base interactions energy: -375.321
where: short stacking energy: -147.841
Base-Backbone interact. energy: -0.001
local terms energy: -145.275588
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -43.357
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: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -523.104833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.104833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.104833 (E_RNA)
where:
Base-Base interactions energy: -379.786
where: short stacking energy: -144.768
Base-Backbone interact. energy: -0.012
local terms energy: -143.307577
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -26.319
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -43.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -511.631878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.631878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.631878 (E_RNA)
where:
Base-Base interactions energy: -375.571
where: short stacking energy: -143.411
Base-Backbone interact. energy: -0.001
local terms energy: -136.948222
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -46.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.889 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -492.259287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.259287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.259287 (E_RNA)
where:
Base-Base interactions energy: -365.877
where: short stacking energy: -143.563
Base-Backbone interact. energy: -0.789
local terms energy: -125.592413
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -28.963
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -40.857
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -488.793866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.793866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.793866 (E_RNA)
where:
Base-Base interactions energy: -353.520
where: short stacking energy: -137.190
Base-Backbone interact. energy: 0.198
local terms energy: -135.471757
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -41.912
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: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -482.708844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.708844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.708844 (E_RNA)
where:
Base-Base interactions energy: -373.198
where: short stacking energy: -141.570
Base-Backbone interact. energy: -0.002
local terms energy: -109.508871
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -44.230
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: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -417.555329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.555329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.555329 (E_RNA)
where:
Base-Base interactions energy: -291.414
where: short stacking energy: -112.167
Base-Backbone interact. energy: -0.052
local terms energy: -126.089834
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -34.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -138.720806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.720806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.720806 (E_RNA)
where:
Base-Base interactions energy: -50.374
where: short stacking energy: -27.218
Base-Backbone interact. energy: 1.569
local terms energy: -89.915375
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -16.311
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: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -551.740262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.740262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.740262 (E_RNA)
where:
Base-Base interactions energy: -392.540
where: short stacking energy: -153.020
Base-Backbone interact. energy: -0.000
local terms energy: -159.200343
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -46.536
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: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -547.024300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.024300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.024300 (E_RNA)
where:
Base-Base interactions energy: -388.763
where: short stacking energy: -150.267
Base-Backbone interact. energy: -0.000
local terms energy: -158.260850
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -47.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -533.531463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.531463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.531463 (E_RNA)
where:
Base-Base interactions energy: -381.360
where: short stacking energy: -141.117
Base-Backbone interact. energy: -0.001
local terms energy: -152.171103
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -44.918
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: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -530.603684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.603684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.603684 (E_RNA)
where:
Base-Base interactions energy: -382.441
where: short stacking energy: -153.969
Base-Backbone interact. energy: -0.001
local terms energy: -148.161570
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -47.647
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: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -509.316283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.316283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.316283 (E_RNA)
where:
Base-Base interactions energy: -362.643
where: short stacking energy: -138.209
Base-Backbone interact. energy: -0.357
local terms energy: -146.315951
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -43.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -505.072668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.072668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.072668 (E_RNA)
where:
Base-Base interactions energy: -364.439
where: short stacking energy: -142.468
Base-Backbone interact. energy: -0.011
local terms energy: -140.623024
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -45.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -483.093949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.093949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.093949 (E_RNA)
where:
Base-Base interactions energy: -351.177
where: short stacking energy: -134.261
Base-Backbone interact. energy: -0.001
local terms energy: -132.012152
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -37.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.097 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -493.869859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.869859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.869859 (E_RNA)
where:
Base-Base interactions energy: -356.608
where: short stacking energy: -134.525
Base-Backbone interact. energy: -0.001
local terms energy: -137.334587
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -45.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.073 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -409.542931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.542931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.542931 (E_RNA)
where:
Base-Base interactions energy: -273.970
where: short stacking energy: -112.734
Base-Backbone interact. energy: -0.333
local terms energy: -136.355943
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -27.708
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -37.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.117 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -130.318461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.318461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.318461 (E_RNA)
where:
Base-Base interactions energy: -44.034
where: short stacking energy: -36.478
Base-Backbone interact. energy: -1.417
local terms energy: -84.867869
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -7.352
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: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -546.070408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.070408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.070408 (E_RNA)
where:
Base-Base interactions energy: -387.845
where: short stacking energy: -149.475
Base-Backbone interact. energy: -0.007
local terms energy: -158.218671
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -47.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -540.539335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.539335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.539335 (E_RNA)
where:
Base-Base interactions energy: -384.322
where: short stacking energy: -145.556
Base-Backbone interact. energy: -0.029
local terms energy: -156.391784
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -33.927
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -45.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.204 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -525.065333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.065333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.065333 (E_RNA)
where:
Base-Base interactions energy: -376.511
where: short stacking energy: -140.594
Base-Backbone interact. energy: -0.014
local terms energy: -148.540507
where:
bonds (distance) C4'-P energy: -27.888
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -517.596913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.596913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.596913 (E_RNA)
where:
Base-Base interactions energy: -376.631
where: short stacking energy: -150.032
Base-Backbone interact. energy: -0.006
local terms energy: -140.959132
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -45.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -514.191860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.191860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.191860 (E_RNA)
where:
Base-Base interactions energy: -373.194
where: short stacking energy: -142.767
Base-Backbone interact. energy: -0.002
local terms energy: -141.502124
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -46.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.507 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -500.230265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.230265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.230265 (E_RNA)
where:
Base-Base interactions energy: -356.898
where: short stacking energy: -133.249
Base-Backbone interact. energy: -0.093
local terms energy: -143.238959
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -43.037
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: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -507.794511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.794511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.794511 (E_RNA)
where:
Base-Base interactions energy: -368.549
where: short stacking energy: -149.176
Base-Backbone interact. energy: -0.003
local terms energy: -139.573454
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -45.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.331 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -479.731073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.731073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.731073 (E_RNA)
where:
Base-Base interactions energy: -352.549
where: short stacking energy: -133.276
Base-Backbone interact. energy: -0.004
local terms energy: -127.557603
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -39.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.380 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -423.256600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.256600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.256600 (E_RNA)
where:
Base-Base interactions energy: -293.138
where: short stacking energy: -117.696
Base-Backbone interact. energy: -0.141
local terms energy: -129.977118
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -33.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -112.460468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.460468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.460468 (E_RNA)
where:
Base-Base interactions energy: -34.949
where: short stacking energy: -22.260
Base-Backbone interact. energy: 0.084
local terms energy: -78.373746
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.779 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -546.881677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.881677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.881677 (E_RNA)
where:
Base-Base interactions energy: -388.662
where: short stacking energy: -149.128
Base-Backbone interact. energy: -0.001
local terms energy: -158.219326
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -48.255
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: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -540.407804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.407804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.407804 (E_RNA)
where:
Base-Base interactions energy: -394.191
where: short stacking energy: -152.162
Base-Backbone interact. energy: 0.269
local terms energy: -146.485791
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -45.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -531.120459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.120459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.120459 (E_RNA)
where:
Base-Base interactions energy: -384.404
where: short stacking energy: -148.195
Base-Backbone interact. energy: -0.009
local terms energy: -146.707015
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -47.692
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: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -523.702743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.702743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.702743 (E_RNA)
where:
Base-Base interactions energy: -379.397
where: short stacking energy: -152.744
Base-Backbone interact. energy: -0.004
local terms energy: -144.607303
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -27.312
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -46.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.306 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -507.486516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.486516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.486516 (E_RNA)
where:
Base-Base interactions energy: -360.303
where: short stacking energy: -139.326
Base-Backbone interact. energy: -0.013
local terms energy: -147.170344
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -43.093
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: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -512.645275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.645275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.645275 (E_RNA)
where:
Base-Base interactions energy: -366.512
where: short stacking energy: -140.265
Base-Backbone interact. energy: -0.001
local terms energy: -146.132849
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -46.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -499.520138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.520138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.520138 (E_RNA)
where:
Base-Base interactions energy: -368.909
where: short stacking energy: -142.064
Base-Backbone interact. energy: -0.015
local terms energy: -130.596115
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -41.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -480.784067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.784067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.784067 (E_RNA)
where:
Base-Base interactions energy: -344.747
where: short stacking energy: -133.709
Base-Backbone interact. energy: -0.006
local terms energy: -136.030701
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -41.511
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: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -455.139537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.139537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.139537 (E_RNA)
where:
Base-Base interactions energy: -323.237
where: short stacking energy: -120.759
Base-Backbone interact. energy: -0.207
local terms energy: -131.694691
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -40.951
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: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -116.977836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.977836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.977836 (E_RNA)
where:
Base-Base interactions energy: -35.922
where: short stacking energy: -24.789
Base-Backbone interact. energy: -0.482
local terms energy: -80.919308
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: 8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.346 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -546.661848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.661848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.661848 (E_RNA)
where:
Base-Base interactions energy: -385.122
where: short stacking energy: -145.682
Base-Backbone interact. energy: -0.004
local terms energy: -161.535937
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -30.026
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -546.085656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.085656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.085656 (E_RNA)
where:
Base-Base interactions energy: -390.352
where: short stacking energy: -153.336
Base-Backbone interact. energy: -0.576
local terms energy: -155.157782
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -45.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -535.441387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.441387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.441387 (E_RNA)
where:
Base-Base interactions energy: -387.786
where: short stacking energy: -151.265
Base-Backbone interact. energy: -0.009
local terms energy: -149.162561
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -28.169
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -43.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.517 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -516.839858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.839858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.839858 (E_RNA)
where:
Base-Base interactions energy: -383.091
where: short stacking energy: -147.936
Base-Backbone interact. energy: -0.004
local terms energy: -134.048883
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -46.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.305 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -516.639935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.639935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.639935 (E_RNA)
where:
Base-Base interactions energy: -373.626
where: short stacking energy: -141.091
Base-Backbone interact. energy: -0.469
local terms energy: -142.545014
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -46.041
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: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -493.727129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.727129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.727129 (E_RNA)
where:
Base-Base interactions energy: -359.908
where: short stacking energy: -133.977
Base-Backbone interact. energy: -0.189
local terms energy: -133.630738
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -31.554
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -39.498
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: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -491.347557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.347557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.347557 (E_RNA)
where:
Base-Base interactions energy: -363.715
where: short stacking energy: -138.864
Base-Backbone interact. energy: 0.132
local terms energy: -127.764634
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -42.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -484.959419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.959419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.959419 (E_RNA)
where:
Base-Base interactions energy: -350.761
where: short stacking energy: -130.245
Base-Backbone interact. energy: -0.090
local terms energy: -134.108756
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -41.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -435.124849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.124849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.124849 (E_RNA)
where:
Base-Base interactions energy: -302.472
where: short stacking energy: -114.511
Base-Backbone interact. energy: -0.050
local terms energy: -132.602785
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -34.339
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: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -120.733055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.733055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.733055 (E_RNA)
where:
Base-Base interactions energy: -43.651
where: short stacking energy: -33.857
Base-Backbone interact. energy: -0.222
local terms energy: -76.859960
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -29.518
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -0.978
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -549.601388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.601388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.601388 (E_RNA)
where:
Base-Base interactions energy: -393.638
where: short stacking energy: -149.300
Base-Backbone interact. energy: -0.042
local terms energy: -155.921590
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -27.659
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -49.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -545.042525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.042525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.042525 (E_RNA)
where:
Base-Base interactions energy: -386.639
where: short stacking energy: -149.987
Base-Backbone interact. energy: 0.638
local terms energy: -159.041311
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -25.437
tors. eta vs tors. theta energy: -45.887
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: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -526.171982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.171982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.171982 (E_RNA)
where:
Base-Base interactions energy: -388.146
where: short stacking energy: -151.234
Base-Backbone interact. energy: 0.476
local terms energy: -139.344889
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -44.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.843 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -520.074038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.074038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.074038 (E_RNA)
where:
Base-Base interactions energy: -375.069
where: short stacking energy: -140.584
Base-Backbone interact. energy: -0.588
local terms energy: -144.416835
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -48.131
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: 309
Temperature: 1.100000
Total energy: -503.233891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.233891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.233891 (E_RNA)
where:
Base-Base interactions energy: -368.828
where: short stacking energy: -134.594
Base-Backbone interact. energy: -0.035
local terms energy: -134.437813
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -44.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -494.752660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.752660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.752660 (E_RNA)
where:
Base-Base interactions energy: -362.357
where: short stacking energy: -137.440
Base-Backbone interact. energy: -0.103
local terms energy: -132.292745
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -43.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -482.922148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.922148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.922148 (E_RNA)
where:
Base-Base interactions energy: -352.909
where: short stacking energy: -130.846
Base-Backbone interact. energy: -0.715
local terms energy: -129.298015
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -39.333
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: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -465.728046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.728046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.728046 (E_RNA)
where:
Base-Base interactions energy: -330.191
where: short stacking energy: -127.142
Base-Backbone interact. energy: -0.001
local terms energy: -135.929277
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -40.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.393 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -450.676047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.676047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.676047 (E_RNA)
where:
Base-Base interactions energy: -350.645
where: short stacking energy: -131.391
Base-Backbone interact. energy: -0.199
local terms energy: -99.832196
where:
bonds (distance) C4'-P energy: -4.850
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -40.594
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: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -117.381841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.381841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.381841 (E_RNA)
where:
Base-Base interactions energy: -40.193
where: short stacking energy: -31.833
Base-Backbone interact. energy: -2.007
local terms energy: -75.181830
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -6.536
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: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -539.915404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.915404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.915404 (E_RNA)
where:
Base-Base interactions energy: -390.304
where: short stacking energy: -152.067
Base-Backbone interact. energy: -0.280
local terms energy: -149.836002
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -44.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.505 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -547.477109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.477109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.477109 (E_RNA)
where:
Base-Base interactions energy: -385.969
where: short stacking energy: -147.312
Base-Backbone interact. energy: -0.840
local terms energy: -161.012922
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: -44.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.345 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -535.357950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.357950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.357950 (E_RNA)
where:
Base-Base interactions energy: -384.988
where: short stacking energy: -149.398
Base-Backbone interact. energy: -0.002
local terms energy: -150.368462
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -46.502
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: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -519.097739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.097739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.097739 (E_RNA)
where:
Base-Base interactions energy: -383.543
where: short stacking energy: -140.898
Base-Backbone interact. energy: -0.003
local terms energy: -136.097566
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -46.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.546 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -493.044529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.044529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.044529 (E_RNA)
where:
Base-Base interactions energy: -362.573
where: short stacking energy: -127.862
Base-Backbone interact. energy: 1.964
local terms energy: -132.434835
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -43.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -506.252884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.252884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.252884 (E_RNA)
where:
Base-Base interactions energy: -368.371
where: short stacking energy: -138.789
Base-Backbone interact. energy: -0.001
local terms energy: -138.700246
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -42.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.819 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -502.211192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.211192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.211192 (E_RNA)
where:
Base-Base interactions energy: -362.845
where: short stacking energy: -145.829
Base-Backbone interact. energy: -0.289
local terms energy: -139.689396
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -46.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.613 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -479.242007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.242007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.242007 (E_RNA)
where:
Base-Base interactions energy: -338.771
where: short stacking energy: -124.963
Base-Backbone interact. energy: -0.639
local terms energy: -139.832523
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -42.967
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -416.036033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.036033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.036033 (E_RNA)
where:
Base-Base interactions energy: -305.193
where: short stacking energy: -109.221
Base-Backbone interact. energy: -0.476
local terms energy: -110.366962
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -35.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -117.409588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.409588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.409588 (E_RNA)
where:
Base-Base interactions energy: -50.185
where: short stacking energy: -26.784
Base-Backbone interact. energy: -1.062
local terms energy: -66.162585
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -27.311
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -2.648
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: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -540.265804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.265804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.265804 (E_RNA)
where:
Base-Base interactions energy: -388.603
where: short stacking energy: -150.184
Base-Backbone interact. energy: -0.044
local terms energy: -151.619105
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -48.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -538.953866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.953866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.953866 (E_RNA)
where:
Base-Base interactions energy: -387.656
where: short stacking energy: -149.945
Base-Backbone interact. energy: -0.608
local terms energy: -150.690164
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -536.333841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.333841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.333841 (E_RNA)
where:
Base-Base interactions energy: -388.782
where: short stacking energy: -152.194
Base-Backbone interact. energy: -0.042
local terms energy: -149.503752
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -46.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.994 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -522.725817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.725817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.725817 (E_RNA)
where:
Base-Base interactions energy: -390.793
where: short stacking energy: -149.902
Base-Backbone interact. energy: -0.001
local terms energy: -134.292986
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -47.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.362 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -501.603617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.603617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.603617 (E_RNA)
where:
Base-Base interactions energy: -360.050
where: short stacking energy: -133.996
Base-Backbone interact. energy: 1.315
local terms energy: -142.868749
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -42.861
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: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -506.720467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.720467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.720467 (E_RNA)
where:
Base-Base interactions energy: -363.913
where: short stacking energy: -144.267
Base-Backbone interact. energy: -0.212
local terms energy: -142.596052
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -24.950
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -46.570
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: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -500.063260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.063260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.063260 (E_RNA)
where:
Base-Base interactions energy: -372.787
where: short stacking energy: -137.489
Base-Backbone interact. energy: -0.237
local terms energy: -128.969562
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.930 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -487.757978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.757978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.757978 (E_RNA)
where:
Base-Base interactions energy: -349.822
where: short stacking energy: -131.442
Base-Backbone interact. energy: -0.280
local terms energy: -137.656253
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -39.384
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: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -398.053538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.053538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.053538 (E_RNA)
where:
Base-Base interactions energy: -274.051
where: short stacking energy: -107.364
Base-Backbone interact. energy: -0.277
local terms energy: -123.725711
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -33.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -119.578101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.578101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.578101 (E_RNA)
where:
Base-Base interactions energy: -39.785
where: short stacking energy: -30.387
Base-Backbone interact. energy: -0.825
local terms energy: -78.967942
where:
bonds (distance) C4'-P energy: -6.427
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -17.580
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: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -549.508140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.508140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.508140 (E_RNA)
where:
Base-Base interactions energy: -390.889
where: short stacking energy: -150.742
Base-Backbone interact. energy: -0.002
local terms energy: -158.640934
where:
bonds (distance) C4'-P energy: -30.042
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -46.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.024 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -541.038621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.038621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.038621 (E_RNA)
where:
Base-Base interactions energy: -380.441
where: short stacking energy: -147.064
Base-Backbone interact. energy: -0.060
local terms energy: -160.537413
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -526.003477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.003477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.003477 (E_RNA)
where:
Base-Base interactions energy: -387.260
where: short stacking energy: -152.200
Base-Backbone interact. energy: -0.002
local terms energy: -138.939076
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.197 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -521.892355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.892355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.892355 (E_RNA)
where:
Base-Base interactions energy: -377.631
where: short stacking energy: -148.721
Base-Backbone interact. energy: -0.001
local terms energy: -144.790841
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -45.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.530 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -508.650024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.650024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.650024 (E_RNA)
where:
Base-Base interactions energy: -369.160
where: short stacking energy: -139.261
Base-Backbone interact. energy: -0.115
local terms energy: -139.374656
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -43.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -494.260907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.260907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.260907 (E_RNA)
where:
Base-Base interactions energy: -363.372
where: short stacking energy: -133.763
Base-Backbone interact. energy: 1.302
local terms energy: -132.191303
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -39.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -499.653166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.653166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.653166 (E_RNA)
where:
Base-Base interactions energy: -357.843
where: short stacking energy: -136.879
Base-Backbone interact. energy: -0.005
local terms energy: -141.805665
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -45.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -471.599087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.599087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.599087 (E_RNA)
where:
Base-Base interactions energy: -346.461
where: short stacking energy: -125.543
Base-Backbone interact. energy: -0.007
local terms energy: -126.461579
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -31.532
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -42.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.331 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -475.224626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.224626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.224626 (E_RNA)
where:
Base-Base interactions energy: -331.619
where: short stacking energy: -124.365
Base-Backbone interact. energy: -0.002
local terms energy: -143.603794
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -27.106
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -45.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -105.618468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.618468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.618468 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -20.007
Base-Backbone interact. energy: -1.387
local terms energy: -68.103657
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: 6.385
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: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -539.148195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.148195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.148195 (E_RNA)
where:
Base-Base interactions energy: -384.407
where: short stacking energy: -146.227
Base-Backbone interact. energy: -0.002
local terms energy: -154.739587
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -48.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -535.304748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.304748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.304748 (E_RNA)
where:
Base-Base interactions energy: -380.323
where: short stacking energy: -143.290
Base-Backbone interact. energy: -0.667
local terms energy: -154.315183
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -47.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -538.835234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.835234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.835234 (E_RNA)
where:
Base-Base interactions energy: -391.160
where: short stacking energy: -153.063
Base-Backbone interact. energy: -0.002
local terms energy: -147.673391
where:
bonds (distance) C4'-P energy: -24.137
bonds (distance) P-C4' energy: -27.645
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -46.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -523.765941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.765941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.765941 (E_RNA)
where:
Base-Base interactions energy: -378.667
where: short stacking energy: -146.654
Base-Backbone interact. energy: -0.001
local terms energy: -145.098177
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -46.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -508.726399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.726399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.726399 (E_RNA)
where:
Base-Base interactions energy: -366.236
where: short stacking energy: -142.534
Base-Backbone interact. energy: -0.019
local terms energy: -142.471634
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -27.675
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -494.131666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.131666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.131666 (E_RNA)
where:
Base-Base interactions energy: -358.325
where: short stacking energy: -140.305
Base-Backbone interact. energy: -0.001
local terms energy: -135.805087
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -44.899
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: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -485.537688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.537688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.537688 (E_RNA)
where:
Base-Base interactions energy: -359.059
where: short stacking energy: -140.171
Base-Backbone interact. energy: -0.005
local terms energy: -126.473279
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -41.330
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: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -484.672077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.672077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.672077 (E_RNA)
where:
Base-Base interactions energy: -355.941
where: short stacking energy: -140.554
Base-Backbone interact. energy: -0.290
local terms energy: -128.784537
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -42.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.344 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -460.264920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.264920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.264920 (E_RNA)
where:
Base-Base interactions energy: -337.391
where: short stacking energy: -132.375
Base-Backbone interact. energy: -0.004
local terms energy: -122.869478
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -40.818
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: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -125.702693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.702693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.702693 (E_RNA)
where:
Base-Base interactions energy: -53.416
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.082
local terms energy: -72.204755
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -550.892484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.892484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.892484 (E_RNA)
where:
Base-Base interactions energy: -394.206
where: short stacking energy: -152.053
Base-Backbone interact. energy: -0.046
local terms energy: -156.640597
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -28.526
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: -47.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -534.825648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.825648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.825648 (E_RNA)
where:
Base-Base interactions energy: -384.898
where: short stacking energy: -150.716
Base-Backbone interact. energy: -0.002
local terms energy: -151.262574
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -48.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.337 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -525.632512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.632512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.632512 (E_RNA)
where:
Base-Base interactions energy: -375.387
where: short stacking energy: -140.792
Base-Backbone interact. energy: -0.000
local terms energy: -150.245563
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -45.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -525.483820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.483820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.483820 (E_RNA)
where:
Base-Base interactions energy: -372.520
where: short stacking energy: -148.811
Base-Backbone interact. energy: -0.003
local terms energy: -152.960807
where:
bonds (distance) C4'-P energy: -26.355
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -46.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -505.294532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.294532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.294532 (E_RNA)
where:
Base-Base interactions energy: -357.117
where: short stacking energy: -140.913
Base-Backbone interact. energy: -0.000
local terms energy: -148.177671
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -45.265
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: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -512.435268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.435268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.435268 (E_RNA)
where:
Base-Base interactions energy: -367.026
where: short stacking energy: -140.936
Base-Backbone interact. energy: -0.025
local terms energy: -145.383735
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -44.463
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -491.853734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.853734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.853734 (E_RNA)
where:
Base-Base interactions energy: -343.773
where: short stacking energy: -133.286
Base-Backbone interact. energy: -0.007
local terms energy: -148.073755
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -21.083
tors. eta vs tors. theta energy: -43.539
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: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -492.456844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.456844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.456844 (E_RNA)
where:
Base-Base interactions energy: -356.294
where: short stacking energy: -139.242
Base-Backbone interact. energy: -0.610
local terms energy: -135.553403
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -46.361
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: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -469.033329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.033329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.033329 (E_RNA)
where:
Base-Base interactions energy: -337.683
where: short stacking energy: -129.639
Base-Backbone interact. energy: -0.039
local terms energy: -131.311947
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -40.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -110.216556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.216556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.216556 (E_RNA)
where:
Base-Base interactions energy: -33.060
where: short stacking energy: -15.799
Base-Backbone interact. energy: -1.402
local terms energy: -76.329723
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: 8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.575 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -540.575514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.575514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.575514 (E_RNA)
where:
Base-Base interactions energy: -379.548
where: short stacking energy: -147.322
Base-Backbone interact. energy: -0.000
local terms energy: -161.026782
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -536.761526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.761526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.761526 (E_RNA)
where:
Base-Base interactions energy: -386.970
where: short stacking energy: -155.043
Base-Backbone interact. energy: -0.001
local terms energy: -149.791412
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: -48.045
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: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -528.201932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.201932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.201932 (E_RNA)
where:
Base-Base interactions energy: -383.146
where: short stacking energy: -148.441
Base-Backbone interact. energy: -0.002
local terms energy: -145.238821
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -46.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.184 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -523.717184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.717184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.717184 (E_RNA)
where:
Base-Base interactions energy: -380.272
where: short stacking energy: -149.247
Base-Backbone interact. energy: -0.003
local terms energy: -143.441961
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -43.609
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: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -516.483624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.483624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.483624 (E_RNA)
where:
Base-Base interactions energy: -371.289
where: short stacking energy: -150.028
Base-Backbone interact. energy: -0.005
local terms energy: -145.189065
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -46.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -499.361505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.361505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.361505 (E_RNA)
where:
Base-Base interactions energy: -361.105
where: short stacking energy: -140.065
Base-Backbone interact. energy: -0.027
local terms energy: -138.229680
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -42.850
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: 315
Temperature: 1.200000
Total energy: -501.052464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.052464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.052464 (E_RNA)
where:
Base-Base interactions energy: -363.470
where: short stacking energy: -143.604
Base-Backbone interact. energy: -0.003
local terms energy: -137.578718
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -43.327
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: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -484.781135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.781135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.781135 (E_RNA)
where:
Base-Base interactions energy: -349.607
where: short stacking energy: -137.275
Base-Backbone interact. energy: -0.002
local terms energy: -135.733334
where:
bonds (distance) C4'-P energy: -26.190
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -45.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.562 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -422.558970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.558970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.558970 (E_RNA)
where:
Base-Base interactions energy: -297.943
where: short stacking energy: -113.421
Base-Backbone interact. energy: -0.068
local terms energy: -124.547577
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -25.971
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -37.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -132.486134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.486134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.486134 (E_RNA)
where:
Base-Base interactions energy: -46.783
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.897
local terms energy: -84.806074
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -5.467
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: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -552.822138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.822138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.822138 (E_RNA)
where:
Base-Base interactions energy: -393.322
where: short stacking energy: -154.837
Base-Backbone interact. energy: -0.003
local terms energy: -159.497385
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -51.340
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: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -532.698862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.698862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.698862 (E_RNA)
where:
Base-Base interactions energy: -382.887
where: short stacking energy: -145.277
Base-Backbone interact. energy: -0.041
local terms energy: -149.770480
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -42.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -530.729222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.729222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.729222 (E_RNA)
where:
Base-Base interactions energy: -384.666
where: short stacking energy: -146.740
Base-Backbone interact. energy: -0.013
local terms energy: -146.050039
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -46.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -528.994662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.994662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.994662 (E_RNA)
where:
Base-Base interactions energy: -377.109
where: short stacking energy: -144.893
Base-Backbone interact. energy: -0.222
local terms energy: -151.663211
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -46.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -511.182945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.182945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.182945 (E_RNA)
where:
Base-Base interactions energy: -366.852
where: short stacking energy: -135.677
Base-Backbone interact. energy: -0.047
local terms energy: -144.283492
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -46.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -522.628183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.628183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.628183 (E_RNA)
where:
Base-Base interactions energy: -378.061
where: short stacking energy: -148.406
Base-Backbone interact. energy: -0.002
local terms energy: -144.565434
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -48.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -493.790444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.790444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.790444 (E_RNA)
where:
Base-Base interactions energy: -362.734
where: short stacking energy: -139.808
Base-Backbone interact. energy: -0.162
local terms energy: -130.894160
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -29.755
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -43.085
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: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -491.400217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.400217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.400217 (E_RNA)
where:
Base-Base interactions energy: -362.579
where: short stacking energy: -135.649
Base-Backbone interact. energy: -0.048
local terms energy: -128.773213
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -38.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -423.453610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.453610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.453610 (E_RNA)
where:
Base-Base interactions energy: -287.181
where: short stacking energy: -104.719
Base-Backbone interact. energy: -0.327
local terms energy: -135.944774
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -36.401
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: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -133.378337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.378337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.378337 (E_RNA)
where:
Base-Base interactions energy: -47.584
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.323
local terms energy: -85.471927
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: 4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -553.214182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.214182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.214182 (E_RNA)
where:
Base-Base interactions energy: -396.588
where: short stacking energy: -157.902
Base-Backbone interact. energy: -0.003
local terms energy: -156.623428
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -48.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -535.905319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.905319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.905319 (E_RNA)
where:
Base-Base interactions energy: -381.234
where: short stacking energy: -150.471
Base-Backbone interact. energy: -0.123
local terms energy: -155.539671
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -47.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.991 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -524.314281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.314281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.314281 (E_RNA)
where:
Base-Base interactions energy: -380.051
where: short stacking energy: -150.010
Base-Backbone interact. energy: -0.010
local terms energy: -144.253607
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -24.916
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -44.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -528.470629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.470629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.470629 (E_RNA)
where:
Base-Base interactions energy: -378.505
where: short stacking energy: -144.754
Base-Backbone interact. energy: -0.001
local terms energy: -149.965141
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -46.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -495.590371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.590371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.590371 (E_RNA)
where:
Base-Base interactions energy: -363.825
where: short stacking energy: -132.447
Base-Backbone interact. energy: -0.010
local terms energy: -131.754632
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -42.724
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: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -523.450285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.450285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.450285 (E_RNA)
where:
Base-Base interactions energy: -374.026
where: short stacking energy: -140.619
Base-Backbone interact. energy: -0.006
local terms energy: -149.418669
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -44.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -497.240900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.240900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.240900 (E_RNA)
where:
Base-Base interactions energy: -347.446
where: short stacking energy: -129.645
Base-Backbone interact. energy: -0.084
local terms energy: -149.710480
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -39.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -495.574526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.574526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.574526 (E_RNA)
where:
Base-Base interactions energy: -357.440
where: short stacking energy: -136.121
Base-Backbone interact. energy: -0.004
local terms energy: -138.130274
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -43.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -382.348722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.348722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.348722 (E_RNA)
where:
Base-Base interactions energy: -258.121
where: short stacking energy: -106.320
Base-Backbone interact. energy: -0.159
local terms energy: -124.385500
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -33.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.316 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -131.129460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.129460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.129460 (E_RNA)
where:
Base-Base interactions energy: -41.550
where: short stacking energy: -37.814
Base-Backbone interact. energy: 1.391
local terms energy: -90.969889
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -16.221
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: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -550.337548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.337548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.337548 (E_RNA)
where:
Base-Base interactions energy: -393.646
where: short stacking energy: -153.486
Base-Backbone interact. energy: -0.086
local terms energy: -156.628009
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -47.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -542.544980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.544980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.544980 (E_RNA)
where:
Base-Base interactions energy: -396.912
where: short stacking energy: -156.602
Base-Backbone interact. energy: -0.006
local terms energy: -145.627612
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -48.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -534.680647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.680647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.680647 (E_RNA)
where:
Base-Base interactions energy: -389.467
where: short stacking energy: -147.779
Base-Backbone interact. energy: -0.013
local terms energy: -145.201185
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -29.673
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -48.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -527.707932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.707932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.707932 (E_RNA)
where:
Base-Base interactions energy: -379.935
where: short stacking energy: -143.539
Base-Backbone interact. energy: -0.287
local terms energy: -147.486162
where:
bonds (distance) C4'-P energy: -26.412
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -44.774
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: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -514.502115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.502115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.502115 (E_RNA)
where:
Base-Base interactions energy: -363.769
where: short stacking energy: -141.022
Base-Backbone interact. energy: -0.122
local terms energy: -150.611164
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -45.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -509.249131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.249131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.249131 (E_RNA)
where:
Base-Base interactions energy: -371.893
where: short stacking energy: -140.807
Base-Backbone interact. energy: -0.003
local terms energy: -137.353129
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -43.861
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: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -494.702764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.702764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.702764 (E_RNA)
where:
Base-Base interactions energy: -361.419
where: short stacking energy: -136.532
Base-Backbone interact. energy: -0.002
local terms energy: -133.368455
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -44.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.086 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -481.960844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.960844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.960844 (E_RNA)
where:
Base-Base interactions energy: -352.849
where: short stacking energy: -136.990
Base-Backbone interact. energy: -0.027
local terms energy: -129.085054
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -44.942
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: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -404.232202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.232202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.232202 (E_RNA)
where:
Base-Base interactions energy: -291.668
where: short stacking energy: -116.003
Base-Backbone interact. energy: 0.289
local terms energy: -112.938232
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.085 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -116.213147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.213147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.213147 (E_RNA)
where:
Base-Base interactions energy: -41.661
where: short stacking energy: -28.921
Base-Backbone interact. energy: 3.329
local terms energy: -77.881451
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: 3.173
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: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -545.632805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.632805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.632805 (E_RNA)
where:
Base-Base interactions energy: -390.794
where: short stacking energy: -154.720
Base-Backbone interact. energy: -0.001
local terms energy: -155.344813
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -27.690
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.506 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -540.893286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.893286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.893286 (E_RNA)
where:
Base-Base interactions energy: -384.620
where: short stacking energy: -147.651
Base-Backbone interact. energy: -0.051
local terms energy: -156.834924
where:
bonds (distance) C4'-P energy: -29.061
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -33.576
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: -47.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.612 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -539.160331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.160331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.160331 (E_RNA)
where:
Base-Base interactions energy: -378.510
where: short stacking energy: -147.222
Base-Backbone interact. energy: -0.001
local terms energy: -160.649602
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -28.718
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -49.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -525.190687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.190687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.190687 (E_RNA)
where:
Base-Base interactions energy: -374.960
where: short stacking energy: -138.972
Base-Backbone interact. energy: -0.000
local terms energy: -150.230377
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -516.414189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.414189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.414189 (E_RNA)
where:
Base-Base interactions energy: -370.006
where: short stacking energy: -143.553
Base-Backbone interact. energy: -0.008
local terms energy: -146.400138
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -30.612
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -43.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -487.027062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.027062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.027062 (E_RNA)
where:
Base-Base interactions energy: -358.654
where: short stacking energy: -147.791
Base-Backbone interact. energy: -0.326
local terms energy: -128.046951
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -44.069
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: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -502.135757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.135757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.135757 (E_RNA)
where:
Base-Base interactions energy: -366.750
where: short stacking energy: -139.748
Base-Backbone interact. energy: -0.004
local terms energy: -135.381234
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -43.005
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: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -487.866041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.866041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.866041 (E_RNA)
where:
Base-Base interactions energy: -358.871
where: short stacking energy: -141.291
Base-Backbone interact. energy: -0.003
local terms energy: -129.367052
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -44.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.375 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -416.557524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.557524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.557524 (E_RNA)
where:
Base-Base interactions energy: -305.054
where: short stacking energy: -117.957
Base-Backbone interact. energy: -0.179
local terms energy: -111.325073
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -33.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -136.706375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.706375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.706375 (E_RNA)
where:
Base-Base interactions energy: -64.111
where: short stacking energy: -32.748
Base-Backbone interact. energy: -0.988
local terms energy: -71.607254
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -15.836
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: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -537.267016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.267016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.267016 (E_RNA)
where:
Base-Base interactions energy: -381.889
where: short stacking energy: -147.049
Base-Backbone interact. energy: -0.387
local terms energy: -155.618003
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -48.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.626 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -543.444818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.444818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.444818 (E_RNA)
where:
Base-Base interactions energy: -387.117
where: short stacking energy: -151.972
Base-Backbone interact. energy: -0.001
local terms energy: -156.469033
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -26.097
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -47.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.142 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -534.115167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.115167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.115167 (E_RNA)
where:
Base-Base interactions energy: -379.832
where: short stacking energy: -143.400
Base-Backbone interact. energy: -0.169
local terms energy: -154.114271
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -44.102
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: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -517.879458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.879458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.879458 (E_RNA)
where:
Base-Base interactions energy: -367.212
where: short stacking energy: -146.741
Base-Backbone interact. energy: -0.042
local terms energy: -151.341058
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -25.292
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -43.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.716 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -519.912215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.912215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.912215 (E_RNA)
where:
Base-Base interactions energy: -368.828
where: short stacking energy: -141.699
Base-Backbone interact. energy: -0.239
local terms energy: -150.844819
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -29.785
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -45.598
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: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -500.170000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.170000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.170000 (E_RNA)
where:
Base-Base interactions energy: -361.015
where: short stacking energy: -135.865
Base-Backbone interact. energy: -0.002
local terms energy: -139.153623
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -42.511
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: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -482.649245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.649245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.649245 (E_RNA)
where:
Base-Base interactions energy: -346.364
where: short stacking energy: -134.994
Base-Backbone interact. energy: -0.590
local terms energy: -135.694842
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -40.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -480.432245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.432245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.432245 (E_RNA)
where:
Base-Base interactions energy: -347.414
where: short stacking energy: -133.559
Base-Backbone interact. energy: -0.208
local terms energy: -133.503674
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -25.302
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -40.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.693 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -415.865163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.865163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.865163 (E_RNA)
where:
Base-Base interactions energy: -310.359
where: short stacking energy: -118.380
Base-Backbone interact. energy: -0.197
local terms energy: -105.309777
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -35.543
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -120.485157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.485157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.485157 (E_RNA)
where:
Base-Base interactions energy: -41.272
where: short stacking energy: -26.574
Base-Backbone interact. energy: -0.402
local terms energy: -78.810830
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -3.911
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: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -531.990351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.990351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.990351 (E_RNA)
where:
Base-Base interactions energy: -378.881
where: short stacking energy: -148.996
Base-Backbone interact. energy: -0.002
local terms energy: -153.235279
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -45.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.128 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -536.780812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.780812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.780812 (E_RNA)
where:
Base-Base interactions energy: -380.611
where: short stacking energy: -146.246
Base-Backbone interact. energy: -0.001
local terms energy: -156.168824
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -544.315175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.315175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.315175 (E_RNA)
where:
Base-Base interactions energy: -383.340
where: short stacking energy: -148.941
Base-Backbone interact. energy: -0.013
local terms energy: -160.962365
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -28.337
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -26.646
tors. eta vs tors. theta energy: -45.564
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: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -529.749038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.749038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.749038 (E_RNA)
where:
Base-Base interactions energy: -379.717
where: short stacking energy: -149.422
Base-Backbone interact. energy: -0.041
local terms energy: -150.139674
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -45.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.149 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -509.484568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.484568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.484568 (E_RNA)
where:
Base-Base interactions energy: -370.457
where: short stacking energy: -143.963
Base-Backbone interact. energy: -0.420
local terms energy: -138.607860
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -22.685
tors. eta vs tors. theta energy: -45.934
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: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -479.477877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.477877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.477877 (E_RNA)
where:
Base-Base interactions energy: -334.188
where: short stacking energy: -129.281
Base-Backbone interact. energy: -0.082
local terms energy: -145.207665
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -31.560
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -39.832
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: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -495.227589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.227589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.227589 (E_RNA)
where:
Base-Base interactions energy: -363.947
where: short stacking energy: -134.561
Base-Backbone interact. energy: -0.243
local terms energy: -131.174516
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.137 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -472.170304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.170304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.170304 (E_RNA)
where:
Base-Base interactions energy: -342.648
where: short stacking energy: -128.490
Base-Backbone interact. energy: -0.003
local terms energy: -129.519363
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -40.669
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: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -331.653474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.653474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.653474 (E_RNA)
where:
Base-Base interactions energy: -223.943
where: short stacking energy: -92.688
Base-Backbone interact. energy: -0.148
local terms energy: -107.563081
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -116.075503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.075503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.075503 (E_RNA)
where:
Base-Base interactions energy: -45.214
where: short stacking energy: -28.546
Base-Backbone interact. energy: 0.143
local terms energy: -71.269286
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: 7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.265 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -540.501247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.501247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.501247 (E_RNA)
where:
Base-Base interactions energy: -386.332
where: short stacking energy: -149.495
Base-Backbone interact. energy: -0.003
local terms energy: -154.165920
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -47.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -543.057081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.057081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.057081 (E_RNA)
where:
Base-Base interactions energy: -385.290
where: short stacking energy: -150.364
Base-Backbone interact. energy: -0.003
local terms energy: -158.150408
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -46.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.386 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -529.152075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.152075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.152075 (E_RNA)
where:
Base-Base interactions energy: -373.521
where: short stacking energy: -145.736
Base-Backbone interact. energy: -0.001
local terms energy: -158.197615
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -46.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.567 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -524.724769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.724769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.724769 (E_RNA)
where:
Base-Base interactions energy: -374.381
where: short stacking energy: -141.850
Base-Backbone interact. energy: -0.357
local terms energy: -149.986945
where:
bonds (distance) C4'-P energy: -28.641
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -45.088
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: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -522.524067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.524067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.524067 (E_RNA)
where:
Base-Base interactions energy: -381.756
where: short stacking energy: -152.904
Base-Backbone interact. energy: -0.006
local terms energy: -140.762112
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -45.612
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: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -509.129861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.129861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.129861 (E_RNA)
where:
Base-Base interactions energy: -363.842
where: short stacking energy: -140.314
Base-Backbone interact. energy: -0.022
local terms energy: -145.727018
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -28.989
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -44.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.461 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -491.016914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.016914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.016914 (E_RNA)
where:
Base-Base interactions energy: -352.410
where: short stacking energy: -137.946
Base-Backbone interact. energy: -0.008
local terms energy: -138.599475
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -43.614
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: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -507.185215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.185215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.185215 (E_RNA)
where:
Base-Base interactions energy: -364.891
where: short stacking energy: -143.506
Base-Backbone interact. energy: -0.000
local terms energy: -142.293895
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -44.587
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: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -366.493701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.493701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.493701 (E_RNA)
where:
Base-Base interactions energy: -251.985
where: short stacking energy: -96.583
Base-Backbone interact. energy: 0.068
local terms energy: -114.576203
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -125.710153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.710153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.710153 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -35.595
Base-Backbone interact. energy: -0.175
local terms energy: -85.894209
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -548.499844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.499844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.499844 (E_RNA)
where:
Base-Base interactions energy: -398.959
where: short stacking energy: -157.997
Base-Backbone interact. energy: -0.001
local terms energy: -149.539628
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -48.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -544.174991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.174991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.174991 (E_RNA)
where:
Base-Base interactions energy: -391.741
where: short stacking energy: -150.717
Base-Backbone interact. energy: -0.001
local terms energy: -152.570538
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -46.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.137 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -542.665486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.665486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.665486 (E_RNA)
where:
Base-Base interactions energy: -387.701
where: short stacking energy: -150.381
Base-Backbone interact. energy: -0.000
local terms energy: -155.514234
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -23.842
tors. eta vs tors. theta energy: -46.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.550 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -520.426003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.426003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.426003 (E_RNA)
where:
Base-Base interactions energy: -373.660
where: short stacking energy: -150.796
Base-Backbone interact. energy: -0.048
local terms energy: -146.718864
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -33.401
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -46.178
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -509.780843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.780843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.780843 (E_RNA)
where:
Base-Base interactions energy: -372.273
where: short stacking energy: -143.877
Base-Backbone interact. energy: -0.002
local terms energy: -137.505833
where:
bonds (distance) C4'-P energy: -26.061
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -46.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -496.330197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.330197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.330197 (E_RNA)
where:
Base-Base interactions energy: -360.932
where: short stacking energy: -139.527
Base-Backbone interact. energy: -0.126
local terms energy: -135.271446
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -45.901
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: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -502.444561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.444561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.444561 (E_RNA)
where:
Base-Base interactions energy: -364.319
where: short stacking energy: -138.810
Base-Backbone interact. energy: -0.023
local terms energy: -138.102744
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -42.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -488.678659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.678659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.678659 (E_RNA)
where:
Base-Base interactions energy: -357.647
where: short stacking energy: -134.317
Base-Backbone interact. energy: -0.060
local terms energy: -130.971365
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -40.704
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: 323
Temperature: 1.300000
Total energy: -362.915931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.915931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.915931 (E_RNA)
where:
Base-Base interactions energy: -244.667
where: short stacking energy: -100.721
Base-Backbone interact. energy: -0.819
local terms energy: -117.429371
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -110.024288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.024288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.024288 (E_RNA)
where:
Base-Base interactions energy: -22.901
where: short stacking energy: -19.768
Base-Backbone interact. energy: 0.308
local terms energy: -87.431146
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: 6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -540.345597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.345597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.345597 (E_RNA)
where:
Base-Base interactions energy: -395.700
where: short stacking energy: -155.427
Base-Backbone interact. energy: -0.015
local terms energy: -144.630645
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -47.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -540.183421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.183421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.183421 (E_RNA)
where:
Base-Base interactions energy: -383.413
where: short stacking energy: -149.221
Base-Backbone interact. energy: -0.005
local terms energy: -159.017476
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -45.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.252 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -538.580977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.580977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.580977 (E_RNA)
where:
Base-Base interactions energy: -390.080
where: short stacking energy: -150.414
Base-Backbone interact. energy: -0.043
local terms energy: -148.458090
where:
bonds (distance) C4'-P energy: -26.310
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -46.634
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: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -541.748352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.748352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.748352 (E_RNA)
where:
Base-Base interactions energy: -377.840
where: short stacking energy: -139.963
Base-Backbone interact. energy: -0.302
local terms energy: -163.606267
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -46.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -501.063485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.063485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.063485 (E_RNA)
where:
Base-Base interactions energy: -362.309
where: short stacking energy: -141.786
Base-Backbone interact. energy: -0.017
local terms energy: -138.737982
where:
bonds (distance) C4'-P energy: -26.680
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -45.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -508.795797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.795797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.795797 (E_RNA)
where:
Base-Base interactions energy: -367.076
where: short stacking energy: -138.863
Base-Backbone interact. energy: -0.001
local terms energy: -141.719621
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -45.945
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: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -501.476451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.476451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.476451 (E_RNA)
where:
Base-Base interactions energy: -359.761
where: short stacking energy: -134.934
Base-Backbone interact. energy: -0.282
local terms energy: -141.433697
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -42.731
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: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -491.147775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.147775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.147775 (E_RNA)
where:
Base-Base interactions energy: -358.094
where: short stacking energy: -134.371
Base-Backbone interact. energy: -0.281
local terms energy: -132.915704
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -44.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.142 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -370.695690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.695690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.695690 (E_RNA)
where:
Base-Base interactions energy: -249.027
where: short stacking energy: -97.077
Base-Backbone interact. energy: -0.356
local terms energy: -121.312454
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -25.506
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: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -123.315888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.315888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.315888 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -34.312
Base-Backbone interact. energy: 6.815
local terms energy: -93.851516
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -31.857
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: 0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -538.247793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.247793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.247793 (E_RNA)
where:
Base-Base interactions energy: -380.619
where: short stacking energy: -140.890
Base-Backbone interact. energy: -0.085
local terms energy: -159.290330
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -32.364
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -44.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.746 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -545.870468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.870468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.870468 (E_RNA)
where:
Base-Base interactions energy: -385.595
where: short stacking energy: -151.285
Base-Backbone interact. energy: -0.001
local terms energy: -160.274886
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -34.418
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -46.669
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: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -540.626453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.626453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.626453 (E_RNA)
where:
Base-Base interactions energy: -385.976
where: short stacking energy: -152.326
Base-Backbone interact. energy: -0.122
local terms energy: -154.527814
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -25.082
tors. eta vs tors. theta energy: -48.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -524.251104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.251104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.251104 (E_RNA)
where:
Base-Base interactions energy: -374.345
where: short stacking energy: -140.607
Base-Backbone interact. energy: -0.578
local terms energy: -149.328178
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -45.900
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: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -516.350624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.350624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.350624 (E_RNA)
where:
Base-Base interactions energy: -376.816
where: short stacking energy: -142.950
Base-Backbone interact. energy: -0.491
local terms energy: -139.043493
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -42.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -504.624995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.624995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.624995 (E_RNA)
where:
Base-Base interactions energy: -358.023
where: short stacking energy: -138.527
Base-Backbone interact. energy: -0.000
local terms energy: -146.602163
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -43.799
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: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -496.163122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.163122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.163122 (E_RNA)
where:
Base-Base interactions energy: -354.675
where: short stacking energy: -134.041
Base-Backbone interact. energy: -0.005
local terms energy: -141.482513
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -28.248
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -44.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -488.090672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.090672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.090672 (E_RNA)
where:
Base-Base interactions energy: -350.365
where: short stacking energy: -130.601
Base-Backbone interact. energy: -0.007
local terms energy: -137.718469
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -44.331
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: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -379.805520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.805520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.805520 (E_RNA)
where:
Base-Base interactions energy: -261.452
where: short stacking energy: -100.593
Base-Backbone interact. energy: -0.097
local terms energy: -118.256356
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -28.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -118.644888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.644888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.644888 (E_RNA)
where:
Base-Base interactions energy: -36.471
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.743
local terms energy: -82.875658
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -28.302
flat angles P-C4'-P energy: -15.050
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: 1.445 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -549.947546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.947546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.947546 (E_RNA)
where:
Base-Base interactions energy: -388.081
where: short stacking energy: -152.768
Base-Backbone interact. energy: -0.000
local terms energy: -161.866482
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -23.218
tors. eta vs tors. theta energy: -49.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -532.742017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.742017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.742017 (E_RNA)
where:
Base-Base interactions energy: -382.354
where: short stacking energy: -147.700
Base-Backbone interact. energy: -0.000
local terms energy: -150.486253
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -21.076
tors. eta vs tors. theta energy: -46.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.099 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -531.695105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.695105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.695105 (E_RNA)
where:
Base-Base interactions energy: -383.358
where: short stacking energy: -149.845
Base-Backbone interact. energy: -0.007
local terms energy: -149.046499
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -48.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.716 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -540.001854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.001854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.001854 (E_RNA)
where:
Base-Base interactions energy: -379.780
where: short stacking energy: -148.142
Base-Backbone interact. energy: -0.000
local terms energy: -160.221084
where:
bonds (distance) C4'-P energy: -29.761
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -30.669
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -46.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -511.492845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.492845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.492845 (E_RNA)
where:
Base-Base interactions energy: -367.326
where: short stacking energy: -137.650
Base-Backbone interact. energy: -0.589
local terms energy: -143.577432
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -47.533
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: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -500.813954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.813954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.813954 (E_RNA)
where:
Base-Base interactions energy: -360.672
where: short stacking energy: -138.096
Base-Backbone interact. energy: -0.003
local terms energy: -140.139797
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -29.958
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -41.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -504.283327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.283327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.283327 (E_RNA)
where:
Base-Base interactions energy: -360.027
where: short stacking energy: -132.657
Base-Backbone interact. energy: -0.001
local terms energy: -144.254632
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -43.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -474.526522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.526522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.526522 (E_RNA)
where:
Base-Base interactions energy: -349.714
where: short stacking energy: -138.657
Base-Backbone interact. energy: -0.002
local terms energy: -124.810955
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -42.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -383.422764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.422764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.422764 (E_RNA)
where:
Base-Base interactions energy: -269.893
where: short stacking energy: -100.765
Base-Backbone interact. energy: 1.666
local terms energy: -115.196000
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -118.914055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.914055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.914055 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -31.473
Base-Backbone interact. energy: -0.100
local terms energy: -85.282411
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.255 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -545.283190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.283190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.283190 (E_RNA)
where:
Base-Base interactions energy: -387.376
where: short stacking energy: -153.618
Base-Backbone interact. energy: -0.290
local terms energy: -157.617665
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -48.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -539.961994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.961994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.961994 (E_RNA)
where:
Base-Base interactions energy: -392.413
where: short stacking energy: -156.775
Base-Backbone interact. energy: -0.001
local terms energy: -148.213422
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -48.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.666 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -532.523769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.523769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.523769 (E_RNA)
where:
Base-Base interactions energy: -384.638
where: short stacking energy: -144.999
Base-Backbone interact. energy: 0.182
local terms energy: -148.510670
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -45.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.442 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -534.920252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.920252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.920252 (E_RNA)
where:
Base-Base interactions energy: -380.147
where: short stacking energy: -144.312
Base-Backbone interact. energy: -0.124
local terms energy: -154.697984
where:
bonds (distance) C4'-P energy: -27.225
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -45.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.048 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -514.020500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.020500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.020500 (E_RNA)
where:
Base-Base interactions energy: -373.822
where: short stacking energy: -139.882
Base-Backbone interact. energy: -0.303
local terms energy: -139.895968
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -45.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -515.328834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.328834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.328834 (E_RNA)
where:
Base-Base interactions energy: -384.232
where: short stacking energy: -148.379
Base-Backbone interact. energy: -0.002
local terms energy: -131.095274
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -486.134558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.134558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.134558 (E_RNA)
where:
Base-Base interactions energy: -365.641
where: short stacking energy: -136.905
Base-Backbone interact. energy: -0.098
local terms energy: -120.395919
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -42.199
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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -484.216366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.216366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.216366 (E_RNA)
where:
Base-Base interactions energy: -346.049
where: short stacking energy: -136.740
Base-Backbone interact. energy: -0.006
local terms energy: -138.162008
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -41.579
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: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -418.220865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.220865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.220865 (E_RNA)
where:
Base-Base interactions energy: -301.302
where: short stacking energy: -118.251
Base-Backbone interact. energy: -0.020
local terms energy: -116.898634
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -117.268562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.268562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.268562 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -26.777
Base-Backbone interact. energy: -0.774
local terms energy: -76.611517
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: 8.275
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: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -542.806104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.806104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.806104 (E_RNA)
where:
Base-Base interactions energy: -391.062
where: short stacking energy: -151.136
Base-Backbone interact. energy: -0.000
local terms energy: -153.616580
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -47.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.873 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -545.570778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.570778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.570778 (E_RNA)
where:
Base-Base interactions energy: -389.396
where: short stacking energy: -157.859
Base-Backbone interact. energy: -0.001
local terms energy: -156.173781
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -45.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -535.835070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.835070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.835070 (E_RNA)
where:
Base-Base interactions energy: -379.663
where: short stacking energy: -146.530
Base-Backbone interact. energy: -0.022
local terms energy: -156.149607
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -35.290
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -47.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -523.920693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.920693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.920693 (E_RNA)
where:
Base-Base interactions energy: -386.041
where: short stacking energy: -148.855
Base-Backbone interact. energy: -0.008
local terms energy: -139.155862
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -49.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.284 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -510.532616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.532616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.532616 (E_RNA)
where:
Base-Base interactions energy: -367.224
where: short stacking energy: -145.309
Base-Backbone interact. energy: -0.007
local terms energy: -143.301884
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -29.600
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -46.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -490.724505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.724505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.724505 (E_RNA)
where:
Base-Base interactions energy: -356.238
where: short stacking energy: -135.496
Base-Backbone interact. energy: -0.005
local terms energy: -134.481917
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: -38.973
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: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -496.324768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.324768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.324768 (E_RNA)
where:
Base-Base interactions energy: -358.697
where: short stacking energy: -139.085
Base-Backbone interact. energy: -0.009
local terms energy: -137.747192
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -45.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.128 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -489.083457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.083457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.083457 (E_RNA)
where:
Base-Base interactions energy: -363.160
where: short stacking energy: -142.171
Base-Backbone interact. energy: -0.004
local terms energy: -125.919582
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -44.414
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: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -447.083096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.083096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.083096 (E_RNA)
where:
Base-Base interactions energy: -328.424
where: short stacking energy: -124.107
Base-Backbone interact. energy: -0.661
local terms energy: -117.998343
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -38.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -123.501139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.501139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.501139 (E_RNA)
where:
Base-Base interactions energy: -51.495
where: short stacking energy: -33.626
Base-Backbone interact. energy: 1.995
local terms energy: -74.000847
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: 7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -553.228611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.228611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.228611 (E_RNA)
where:
Base-Base interactions energy: -393.495
where: short stacking energy: -156.986
Base-Backbone interact. energy: -0.001
local terms energy: -159.732902
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -23.842
tors. eta vs tors. theta energy: -48.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -536.135663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.135663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.135663 (E_RNA)
where:
Base-Base interactions energy: -389.146
where: short stacking energy: -149.351
Base-Backbone interact. energy: -0.239
local terms energy: -148.681952
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.932 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -536.069468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.069468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.069468 (E_RNA)
where:
Base-Base interactions energy: -383.630
where: short stacking energy: -149.368
Base-Backbone interact. energy: -0.227
local terms energy: -152.212251
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -45.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -507.106796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.106796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.106796 (E_RNA)
where:
Base-Base interactions energy: -363.445
where: short stacking energy: -141.956
Base-Backbone interact. energy: -0.635
local terms energy: -143.026812
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -42.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -516.578599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.578599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.578599 (E_RNA)
where:
Base-Base interactions energy: -364.208
where: short stacking energy: -136.598
Base-Backbone interact. energy: -0.001
local terms energy: -152.369328
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -31.471
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -46.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -510.369011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.369011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.369011 (E_RNA)
where:
Base-Base interactions energy: -372.005
where: short stacking energy: -140.580
Base-Backbone interact. energy: -0.103
local terms energy: -138.260256
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -42.176
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: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -502.199923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.199923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.199923 (E_RNA)
where:
Base-Base interactions energy: -355.296
where: short stacking energy: -138.133
Base-Backbone interact. energy: -0.122
local terms energy: -146.782209
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -42.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -427.868644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.868644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.868644 (E_RNA)
where:
Base-Base interactions energy: -304.608
where: short stacking energy: -112.976
Base-Backbone interact. energy: 0.929
local terms energy: -124.189429
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -24.737
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -31.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -485.746182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.746182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.746182 (E_RNA)
where:
Base-Base interactions energy: -363.249
where: short stacking energy: -137.703
Base-Backbone interact. energy: 0.223
local terms energy: -122.720530
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -42.437
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: 329
Temperature: 1.350000
Total energy: -134.161724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.161724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.161724 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -35.065
Base-Backbone interact. energy: -1.688
local terms energy: -88.775731
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: 1.063
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: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -544.137231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.137231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.137231 (E_RNA)
where:
Base-Base interactions energy: -389.848
where: short stacking energy: -151.007
Base-Backbone interact. energy: -0.167
local terms energy: -154.121593
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -48.152
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -541.949707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.949707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.949707 (E_RNA)
where:
Base-Base interactions energy: -378.647
where: short stacking energy: -146.930
Base-Backbone interact. energy: -0.001
local terms energy: -163.301726
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -49.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -529.479167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.479167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.479167 (E_RNA)
where:
Base-Base interactions energy: -382.086
where: short stacking energy: -147.488
Base-Backbone interact. energy: -0.002
local terms energy: -147.390939
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -41.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -507.991131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.991131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.991131 (E_RNA)
where:
Base-Base interactions energy: -365.888
where: short stacking energy: -143.000
Base-Backbone interact. energy: -0.000
local terms energy: -142.103147
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -31.898
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -41.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -519.394612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.394612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.394612 (E_RNA)
where:
Base-Base interactions energy: -378.807
where: short stacking energy: -143.046
Base-Backbone interact. energy: 0.087
local terms energy: -140.674444
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -29.091
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -43.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -515.047584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.047584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.047584 (E_RNA)
where:
Base-Base interactions energy: -370.339
where: short stacking energy: -137.389
Base-Backbone interact. energy: -0.002
local terms energy: -144.707447
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -43.072
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: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -442.936233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.936233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.936233 (E_RNA)
where:
Base-Base interactions energy: -314.336
where: short stacking energy: -118.805
Base-Backbone interact. energy: -0.003
local terms energy: -128.596964
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -36.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -489.264754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.264754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.264754 (E_RNA)
where:
Base-Base interactions energy: -346.086
where: short stacking energy: -141.684
Base-Backbone interact. energy: -0.282
local terms energy: -142.896963
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -43.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -471.995605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.995605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.995605 (E_RNA)
where:
Base-Base interactions energy: -330.244
where: short stacking energy: -131.099
Base-Backbone interact. energy: -0.012
local terms energy: -141.739154
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -38.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -129.182308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.182308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.182308 (E_RNA)
where:
Base-Base interactions energy: -50.720
where: short stacking energy: -32.359
Base-Backbone interact. energy: 0.201
local terms energy: -82.074889
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -14.720
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: 3.411 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -539.988940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.988940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.988940 (E_RNA)
where:
Base-Base interactions energy: -393.252
where: short stacking energy: -155.181
Base-Backbone interact. energy: -0.042
local terms energy: -146.720811
where:
bonds (distance) C4'-P energy: -24.527
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -45.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.025 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -544.770842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.770842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.770842 (E_RNA)
where:
Base-Base interactions energy: -390.716
where: short stacking energy: -151.283
Base-Backbone interact. energy: -0.212
local terms energy: -153.841966
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -48.047
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: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -521.175657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.175657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.175657 (E_RNA)
where:
Base-Base interactions energy: -370.695
where: short stacking energy: -146.920
Base-Backbone interact. energy: -0.167
local terms energy: -150.313173
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -26.313
tors. eta vs tors. theta energy: -42.690
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: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -524.886581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.886581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.886581 (E_RNA)
where:
Base-Base interactions energy: -373.919
where: short stacking energy: -144.705
Base-Backbone interact. energy: -0.001
local terms energy: -150.966389
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -33.504
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -45.579
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: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -498.032543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.032543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.032543 (E_RNA)
where:
Base-Base interactions energy: -356.175
where: short stacking energy: -136.296
Base-Backbone interact. energy: -0.579
local terms energy: -141.278178
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -41.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -505.307641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.307641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.307641 (E_RNA)
where:
Base-Base interactions energy: -364.393
where: short stacking energy: -138.917
Base-Backbone interact. energy: -0.218
local terms energy: -140.735376
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -42.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -456.994012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.994012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.994012 (E_RNA)
where:
Base-Base interactions energy: -325.225
where: short stacking energy: -120.846
Base-Backbone interact. energy: -0.105
local terms energy: -131.663394
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -36.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -453.928793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.928793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.928793 (E_RNA)
where:
Base-Base interactions energy: -339.211
where: short stacking energy: -122.693
Base-Backbone interact. energy: -0.005
local terms energy: -114.712203
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -24.799
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -39.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -453.606595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.606595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.606595 (E_RNA)
where:
Base-Base interactions energy: -322.386
where: short stacking energy: -123.375
Base-Backbone interact. energy: -0.621
local terms energy: -131.808798
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -43.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.209 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -125.018139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.018139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.018139 (E_RNA)
where:
Base-Base interactions energy: -51.002
where: short stacking energy: -37.211
Base-Backbone interact. energy: -0.451
local terms energy: -74.199087
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.634 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -545.236268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.236268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.236268 (E_RNA)
where:
Base-Base interactions energy: -392.124
where: short stacking energy: -153.403
Base-Backbone interact. energy: -0.001
local terms energy: -153.110740
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -48.062
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -544.543588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.543588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.543588 (E_RNA)
where:
Base-Base interactions energy: -388.170
where: short stacking energy: -150.269
Base-Backbone interact. energy: -0.002
local terms energy: -156.371301
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -26.780
flat angles C4'-P-C4' energy: -31.876
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -44.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -540.859451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.859451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.859451 (E_RNA)
where:
Base-Base interactions energy: -385.296
where: short stacking energy: -145.628
Base-Backbone interact. energy: -0.001
local terms energy: -155.562027
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -30.009
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -48.794
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: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -526.124261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.124261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.124261 (E_RNA)
where:
Base-Base interactions energy: -381.308
where: short stacking energy: -150.399
Base-Backbone interact. energy: -0.021
local terms energy: -144.794893
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -45.800
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: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -515.269054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.269054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.269054 (E_RNA)
where:
Base-Base interactions energy: -376.674
where: short stacking energy: -145.782
Base-Backbone interact. energy: -0.249
local terms energy: -138.346200
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -48.693
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: 332
Temperature: 1.150000
Total energy: -508.225768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.225768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.225768 (E_RNA)
where:
Base-Base interactions energy: -366.723
where: short stacking energy: -146.131
Base-Backbone interact. energy: -0.109
local terms energy: -141.393345
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -46.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -464.957215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.957215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.957215 (E_RNA)
where:
Base-Base interactions energy: -339.633
where: short stacking energy: -128.710
Base-Backbone interact. energy: -0.638
local terms energy: -124.685572
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -40.087
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: 332
Temperature: 1.250000
Total energy: -425.401326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.401326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.401326 (E_RNA)
where:
Base-Base interactions energy: -293.400
where: short stacking energy: -117.714
Base-Backbone interact. energy: -0.012
local terms energy: -131.989475
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -36.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -474.148330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.148330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.148330 (E_RNA)
where:
Base-Base interactions energy: -341.756
where: short stacking energy: -128.494
Base-Backbone interact. energy: -0.079
local terms energy: -132.313172
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -36.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -126.555495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.555495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.555495 (E_RNA)
where:
Base-Base interactions energy: -43.006
where: short stacking energy: -23.205
Base-Backbone interact. energy: 0.472
local terms energy: -84.021838
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -2.362
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: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -540.847514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.847514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.847514 (E_RNA)
where:
Base-Base interactions energy: -388.348
where: short stacking energy: -152.729
Base-Backbone interact. energy: -0.015
local terms energy: -153.269391
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -46.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.785 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -541.933374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.933374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.933374 (E_RNA)
where:
Base-Base interactions energy: -391.504
where: short stacking energy: -150.469
Base-Backbone interact. energy: -0.018
local terms energy: -150.451965
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -43.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.040 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -531.448006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.448006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.448006 (E_RNA)
where:
Base-Base interactions energy: -375.794
where: short stacking energy: -146.934
Base-Backbone interact. energy: -0.722
local terms energy: -154.932648
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -47.674
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: 333
Temperature: 1.050000
Total energy: -525.363956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.363956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.363956 (E_RNA)
where:
Base-Base interactions energy: -377.709
where: short stacking energy: -141.996
Base-Backbone interact. energy: -0.006
local terms energy: -147.648640
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -47.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -507.677954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.677954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.677954 (E_RNA)
where:
Base-Base interactions energy: -365.166
where: short stacking energy: -141.468
Base-Backbone interact. energy: -0.003
local terms energy: -142.508925
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -44.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -487.746516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.746516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.746516 (E_RNA)
where:
Base-Base interactions energy: -355.775
where: short stacking energy: -137.558
Base-Backbone interact. energy: -1.383
local terms energy: -130.588542
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -27.301
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -40.374
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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -499.694825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.694825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.694825 (E_RNA)
where:
Base-Base interactions energy: -364.583
where: short stacking energy: -139.270
Base-Backbone interact. energy: -0.123
local terms energy: -134.989286
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -45.431
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: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -469.025414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.025414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.025414 (E_RNA)
where:
Base-Base interactions energy: -356.325
where: short stacking energy: -137.652
Base-Backbone interact. energy: -0.053
local terms energy: -112.648264
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -452.923540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.923540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.923540 (E_RNA)
where:
Base-Base interactions energy: -322.420
where: short stacking energy: -125.754
Base-Backbone interact. energy: -0.027
local terms energy: -130.476417
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -39.550
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: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -136.095016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.095016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.095016 (E_RNA)
where:
Base-Base interactions energy: -55.871
where: short stacking energy: -50.180
Base-Backbone interact. energy: -0.379
local terms energy: -79.844409
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -13.585
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: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -549.479822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.479822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.479822 (E_RNA)
where:
Base-Base interactions energy: -397.384
where: short stacking energy: -155.456
Base-Backbone interact. energy: -0.002
local terms energy: -152.190436
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -47.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.096 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -540.878478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.878478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.878478 (E_RNA)
where:
Base-Base interactions energy: -394.314
where: short stacking energy: -156.137
Base-Backbone interact. energy: -0.004
local terms energy: -146.560150
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -48.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -542.593758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.593758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.593758 (E_RNA)
where:
Base-Base interactions energy: -382.148
where: short stacking energy: -142.651
Base-Backbone interact. energy: -0.001
local terms energy: -160.444314
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -48.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -521.918542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.918542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.918542 (E_RNA)
where:
Base-Base interactions energy: -372.756
where: short stacking energy: -141.934
Base-Backbone interact. energy: -0.005
local terms energy: -149.365277
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -43.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -528.938329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.938329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.938329 (E_RNA)
where:
Base-Base interactions energy: -377.743
where: short stacking energy: -146.356
Base-Backbone interact. energy: -0.002
local terms energy: -151.193281
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -45.820
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: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -494.311338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.311338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.311338 (E_RNA)
where:
Base-Base interactions energy: -359.888
where: short stacking energy: -139.885
Base-Backbone interact. energy: -0.004
local terms energy: -134.419543
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -41.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -513.059037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.059037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.059037 (E_RNA)
where:
Base-Base interactions energy: -360.578
where: short stacking energy: -138.232
Base-Backbone interact. energy: -0.653
local terms energy: -151.828107
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -30.531
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -47.648
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: 334
Temperature: 1.250000
Total energy: -480.883221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.883221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.883221 (E_RNA)
where:
Base-Base interactions energy: -341.306
where: short stacking energy: -134.244
Base-Backbone interact. energy: -0.078
local terms energy: -139.499889
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -28.489
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -44.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -464.923276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.923276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.923276 (E_RNA)
where:
Base-Base interactions energy: -348.531
where: short stacking energy: -136.724
Base-Backbone interact. energy: -0.001
local terms energy: -116.391178
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -42.252
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: 334
Temperature: 1.350000
Total energy: -131.872686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.872686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.872686 (E_RNA)
where:
Base-Base interactions energy: -57.671
where: short stacking energy: -38.037
Base-Backbone interact. energy: -0.501
local terms energy: -73.700212
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: 7.357
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: 335
Temperature: 0.900000
Total energy: -549.881421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.881421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.881421 (E_RNA)
where:
Base-Base interactions energy: -391.044
where: short stacking energy: -152.344
Base-Backbone interact. energy: -0.001
local terms energy: -158.872419
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -32.517
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -47.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -545.351167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.351167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.351167 (E_RNA)
where:
Base-Base interactions energy: -393.494
where: short stacking energy: -154.425
Base-Backbone interact. energy: -0.001
local terms energy: -151.868102
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -48.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -527.088360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.088360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.088360 (E_RNA)
where:
Base-Base interactions energy: -382.325
where: short stacking energy: -144.562
Base-Backbone interact. energy: -0.083
local terms energy: -144.918385
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -23.300
tors. eta vs tors. theta energy: -44.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.238 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -518.420824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.420824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.420824 (E_RNA)
where:
Base-Base interactions energy: -371.914
where: short stacking energy: -146.347
Base-Backbone interact. energy: -0.012
local terms energy: -146.494054
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -519.607130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.607130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.607130 (E_RNA)
where:
Base-Base interactions energy: -368.394
where: short stacking energy: -148.274
Base-Backbone interact. energy: -0.003
local terms energy: -151.209882
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -26.312
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -45.899
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: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -509.928509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.928509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.928509 (E_RNA)
where:
Base-Base interactions energy: -375.863
where: short stacking energy: -150.267
Base-Backbone interact. energy: -0.008
local terms energy: -134.057452
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -45.183
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: 335
Temperature: 1.200000
Total energy: -500.669718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.669718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.669718 (E_RNA)
where:
Base-Base interactions energy: -368.986
where: short stacking energy: -142.602
Base-Backbone interact. energy: -0.013
local terms energy: -131.670277
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -45.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -486.963126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.963126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.963126 (E_RNA)
where:
Base-Base interactions energy: -348.888
where: short stacking energy: -131.979
Base-Backbone interact. energy: -0.029
local terms energy: -139.326618
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -41.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.281 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -472.853321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.853321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.853321 (E_RNA)
where:
Base-Base interactions energy: -345.476
where: short stacking energy: -131.109
Base-Backbone interact. energy: -0.080
local terms energy: -127.297483
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -44.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -122.806694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.806694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.806694 (E_RNA)
where:
Base-Base interactions energy: -40.489
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.659
local terms energy: -81.659166
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -3.543
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: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -555.213807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.213807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.213807 (E_RNA)
where:
Base-Base interactions energy: -398.096
where: short stacking energy: -155.845
Base-Backbone interact. energy: -0.001
local terms energy: -157.117076
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -33.316
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -49.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -537.143861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.143861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.143861 (E_RNA)
where:
Base-Base interactions energy: -383.034
where: short stacking energy: -152.790
Base-Backbone interact. energy: -0.558
local terms energy: -153.551672
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -48.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -533.349587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.349587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.349587 (E_RNA)
where:
Base-Base interactions energy: -380.927
where: short stacking energy: -151.373
Base-Backbone interact. energy: -0.137
local terms energy: -152.285518
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -47.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -507.044690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.044690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.044690 (E_RNA)
where:
Base-Base interactions energy: -371.540
where: short stacking energy: -145.096
Base-Backbone interact. energy: -0.004
local terms energy: -135.500208
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -43.336
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: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -509.833731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.833731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.833731 (E_RNA)
where:
Base-Base interactions energy: -376.707
where: short stacking energy: -142.963
Base-Backbone interact. energy: -0.295
local terms energy: -132.831537
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -45.200
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: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -510.019597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.019597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.019597 (E_RNA)
where:
Base-Base interactions energy: -367.002
where: short stacking energy: -144.885
Base-Backbone interact. energy: -0.587
local terms energy: -142.430731
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -47.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -508.681247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.681247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.681247 (E_RNA)
where:
Base-Base interactions energy: -375.256
where: short stacking energy: -140.946
Base-Backbone interact. energy: 0.213
local terms energy: -133.638223
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -25.650
flat angles C4'-P-C4' energy: -27.022
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -43.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -481.909620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.909620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.909620 (E_RNA)
where:
Base-Base interactions energy: -350.056
where: short stacking energy: -141.404
Base-Backbone interact. energy: -0.165
local terms energy: -134.150677
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -25.806
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -38.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.462 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -475.453384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.453384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.453384 (E_RNA)
where:
Base-Base interactions energy: -348.731
where: short stacking energy: -130.867
Base-Backbone interact. energy: -0.043
local terms energy: -126.679918
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -41.561
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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -123.499249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.499249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.499249 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -22.095
Base-Backbone interact. energy: -0.626
local terms energy: -78.551195
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: 4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -547.435693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.435693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.435693 (E_RNA)
where:
Base-Base interactions energy: -387.235
where: short stacking energy: -151.104
Base-Backbone interact. energy: -0.000
local terms energy: -160.200500
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -24.973
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -46.418
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: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -536.608174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.608174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.608174 (E_RNA)
where:
Base-Base interactions energy: -389.152
where: short stacking energy: -147.320
Base-Backbone interact. energy: -0.002
local terms energy: -149.928498
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -49.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.474 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -528.575339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.575339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.575339 (E_RNA)
where:
Base-Base interactions energy: -376.514
where: short stacking energy: -147.894
Base-Backbone interact. energy: -0.002
local terms energy: -152.059101
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -46.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -510.511926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.511926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.511926 (E_RNA)
where:
Base-Base interactions energy: -368.254
where: short stacking energy: -141.693
Base-Backbone interact. energy: -0.162
local terms energy: -142.095761
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -42.404
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: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -522.679824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.679824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.679824 (E_RNA)
where:
Base-Base interactions energy: -370.678
where: short stacking energy: -140.197
Base-Backbone interact. energy: -0.587
local terms energy: -151.414632
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -44.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -515.223701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.223701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.223701 (E_RNA)
where:
Base-Base interactions energy: -370.747
where: short stacking energy: -143.497
Base-Backbone interact. energy: -0.006
local terms energy: -144.470610
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -44.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -500.787974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.787974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.787974 (E_RNA)
where:
Base-Base interactions energy: -361.240
where: short stacking energy: -140.146
Base-Backbone interact. energy: -0.631
local terms energy: -138.916803
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -43.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -497.947894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.947894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.947894 (E_RNA)
where:
Base-Base interactions energy: -363.222
where: short stacking energy: -138.965
Base-Backbone interact. energy: 0.855
local terms energy: -135.581495
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -43.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -451.460086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.460086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.460086 (E_RNA)
where:
Base-Base interactions energy: -326.447
where: short stacking energy: -128.054
Base-Backbone interact. energy: -0.005
local terms energy: -125.007569
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -38.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -114.088604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.088604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.088604 (E_RNA)
where:
Base-Base interactions energy: -44.503
where: short stacking energy: -19.695
Base-Backbone interact. energy: -1.679
local terms energy: -67.906897
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: 5.533
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: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -542.774566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.774566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.774566 (E_RNA)
where:
Base-Base interactions energy: -383.108
where: short stacking energy: -148.457
Base-Backbone interact. energy: -0.001
local terms energy: -159.665388
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -32.197
flat angles P-C4'-P energy: -24.631
tors. eta vs tors. theta energy: -46.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -545.547709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.547709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.547709 (E_RNA)
where:
Base-Base interactions energy: -388.286
where: short stacking energy: -150.422
Base-Backbone interact. energy: -0.002
local terms energy: -157.393515
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -46.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.134 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -529.978213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.978213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.978213 (E_RNA)
where:
Base-Base interactions energy: -371.214
where: short stacking energy: -139.711
Base-Backbone interact. energy: -0.008
local terms energy: -158.756316
where:
bonds (distance) C4'-P energy: -27.326
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -48.562
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: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -531.891909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.891909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.891909 (E_RNA)
where:
Base-Base interactions energy: -381.451
where: short stacking energy: -147.150
Base-Backbone interact. energy: -0.493
local terms energy: -150.671863
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -30.301
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -45.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.724 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -524.886417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.886417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.886417 (E_RNA)
where:
Base-Base interactions energy: -376.139
where: short stacking energy: -144.940
Base-Backbone interact. energy: -0.623
local terms energy: -148.123704
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -31.551
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -46.350
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: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -498.789235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.789235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.789235 (E_RNA)
where:
Base-Base interactions energy: -357.801
where: short stacking energy: -141.598
Base-Backbone interact. energy: -0.001
local terms energy: -140.986682
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -46.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -509.518860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.518860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.518860 (E_RNA)
where:
Base-Base interactions energy: -379.844
where: short stacking energy: -146.298
Base-Backbone interact. energy: -0.028
local terms energy: -129.647080
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -44.973
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: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -499.235177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.235177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.235177 (E_RNA)
where:
Base-Base interactions energy: -370.081
where: short stacking energy: -140.262
Base-Backbone interact. energy: -0.001
local terms energy: -129.152942
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -44.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -401.525089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.525089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.525089 (E_RNA)
where:
Base-Base interactions energy: -283.188
where: short stacking energy: -113.379
Base-Backbone interact. energy: -0.059
local terms energy: -118.277957
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -33.725
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: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -121.037942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.037942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.037942 (E_RNA)
where:
Base-Base interactions energy: -50.179
where: short stacking energy: -31.022
Base-Backbone interact. energy: -0.152
local terms energy: -70.707042
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -15.050
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: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -545.455692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.455692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.455692 (E_RNA)
where:
Base-Base interactions energy: -394.703
where: short stacking energy: -155.025
Base-Backbone interact. energy: -0.033
local terms energy: -150.719777
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -49.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -535.873704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.873704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.873704 (E_RNA)
where:
Base-Base interactions energy: -380.271
where: short stacking energy: -144.927
Base-Backbone interact. energy: -0.495
local terms energy: -155.107151
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -526.024117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.024117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.024117 (E_RNA)
where:
Base-Base interactions energy: -384.823
where: short stacking energy: -150.035
Base-Backbone interact. energy: -0.041
local terms energy: -141.160044
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -43.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -530.703941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.703941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.703941 (E_RNA)
where:
Base-Base interactions energy: -373.476
where: short stacking energy: -147.674
Base-Backbone interact. energy: -0.000
local terms energy: -157.227894
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -46.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -505.800617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.800617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.800617 (E_RNA)
where:
Base-Base interactions energy: -376.968
where: short stacking energy: -153.282
Base-Backbone interact. energy: -0.006
local terms energy: -128.827245
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -48.071
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: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -515.687325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.687325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.687325 (E_RNA)
where:
Base-Base interactions energy: -370.710
where: short stacking energy: -139.622
Base-Backbone interact. energy: -0.006
local terms energy: -144.970621
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -494.605836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.605836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.605836 (E_RNA)
where:
Base-Base interactions energy: -352.331
where: short stacking energy: -136.968
Base-Backbone interact. energy: -0.020
local terms energy: -142.550178
where:
bonds (distance) C4'-P energy: -28.225
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -46.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.295 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -479.492687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.492687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.492687 (E_RNA)
where:
Base-Base interactions energy: -337.921
where: short stacking energy: -127.634
Base-Backbone interact. energy: -0.003
local terms energy: -142.036396
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -44.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.468 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -425.136568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.136568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.136568 (E_RNA)
where:
Base-Base interactions energy: -301.531
where: short stacking energy: -117.672
Base-Backbone interact. energy: -0.218
local terms energy: -124.395335
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.008 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -132.098402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.098402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.098402 (E_RNA)
where:
Base-Base interactions energy: -39.229
where: short stacking energy: -37.263
Base-Backbone interact. energy: -0.187
local terms energy: -92.999413
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -17.989
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: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -541.885933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.885933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.885933 (E_RNA)
where:
Base-Base interactions energy: -382.982
where: short stacking energy: -144.384
Base-Backbone interact. energy: -0.001
local terms energy: -159.818484
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -45.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.915 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -553.016346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.016346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.016346 (E_RNA)
where:
Base-Base interactions energy: -394.762
where: short stacking energy: -151.020
Base-Backbone interact. energy: -0.000
local terms energy: -158.253921
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -28.567
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -47.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -527.171752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.171752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.171752 (E_RNA)
where:
Base-Base interactions energy: -379.952
where: short stacking energy: -141.271
Base-Backbone interact. energy: -0.001
local terms energy: -147.992341
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -23.019
tors. eta vs tors. theta energy: -46.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.773 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -508.463545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.463545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.463545 (E_RNA)
where:
Base-Base interactions energy: -377.542
where: short stacking energy: -148.448
Base-Backbone interact. energy: -0.034
local terms energy: -133.718383
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -43.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.831 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -509.143486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.143486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.143486 (E_RNA)
where:
Base-Base interactions energy: -368.186
where: short stacking energy: -138.306
Base-Backbone interact. energy: -0.006
local terms energy: -140.952100
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -43.059
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: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -503.706067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.706067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.706067 (E_RNA)
where:
Base-Base interactions energy: -364.383
where: short stacking energy: -138.547
Base-Backbone interact. energy: -0.259
local terms energy: -139.064902
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -491.273152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.273152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.273152 (E_RNA)
where:
Base-Base interactions energy: -358.915
where: short stacking energy: -139.622
Base-Backbone interact. energy: -0.619
local terms energy: -131.739130
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -42.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -489.487713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.487713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.487713 (E_RNA)
where:
Base-Base interactions energy: -356.271
where: short stacking energy: -141.512
Base-Backbone interact. energy: -0.012
local terms energy: -133.713590
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -45.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.509 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -384.154276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.154276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.154276 (E_RNA)
where:
Base-Base interactions energy: -277.222
where: short stacking energy: -103.277
Base-Backbone interact. energy: -0.314
local terms energy: -106.619004
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -33.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -120.613474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.613474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.613474 (E_RNA)
where:
Base-Base interactions energy: -44.634
where: short stacking energy: -34.725
Base-Backbone interact. energy: 1.608
local terms energy: -77.587322
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -544.078627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.078627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.078627 (E_RNA)
where:
Base-Base interactions energy: -384.783
where: short stacking energy: -147.535
Base-Backbone interact. energy: -0.726
local terms energy: -158.569744
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -49.641
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -540.924011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.924011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.924011 (E_RNA)
where:
Base-Base interactions energy: -385.054
where: short stacking energy: -146.660
Base-Backbone interact. energy: -0.122
local terms energy: -155.747506
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -545.651314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.651314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.651314 (E_RNA)
where:
Base-Base interactions energy: -384.629
where: short stacking energy: -154.273
Base-Backbone interact. energy: -0.001
local terms energy: -161.200954
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -48.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -513.915895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.915895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.915895 (E_RNA)
where:
Base-Base interactions energy: -367.447
where: short stacking energy: -140.070
Base-Backbone interact. energy: -0.725
local terms energy: -145.743969
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -46.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -507.726806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.726806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.726806 (E_RNA)
where:
Base-Base interactions energy: -366.162
where: short stacking energy: -137.084
Base-Backbone interact. energy: -0.033
local terms energy: -141.609635
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -42.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -508.448714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.448714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.448714 (E_RNA)
where:
Base-Base interactions energy: -364.954
where: short stacking energy: -136.252
Base-Backbone interact. energy: -0.000
local terms energy: -143.493975
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -43.590
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: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -484.058178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.058178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.058178 (E_RNA)
where:
Base-Base interactions energy: -353.398
where: short stacking energy: -135.192
Base-Backbone interact. energy: -0.080
local terms energy: -130.579972
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -40.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -495.963054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.963054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.963054 (E_RNA)
where:
Base-Base interactions energy: -362.694
where: short stacking energy: -139.721
Base-Backbone interact. energy: -0.149
local terms energy: -133.756551
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -45.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.637 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -406.435016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.435016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.435016 (E_RNA)
where:
Base-Base interactions energy: -294.715
where: short stacking energy: -123.177
Base-Backbone interact. energy: -0.291
local terms energy: -111.429394
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -36.340
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: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -122.966718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.966718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.966718 (E_RNA)
where:
Base-Base interactions energy: -45.106
where: short stacking energy: -28.909
Base-Backbone interact. energy: -0.705
local terms energy: -77.155463
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -29.695
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: 2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -543.929941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.929941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.929941 (E_RNA)
where:
Base-Base interactions energy: -399.120
where: short stacking energy: -152.013
Base-Backbone interact. energy: -0.289
local terms energy: -144.520902
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -46.462
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: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -548.885029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.885029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.885029 (E_RNA)
where:
Base-Base interactions energy: -390.382
where: short stacking energy: -149.451
Base-Backbone interact. energy: -0.001
local terms energy: -158.501907
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -44.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -529.781617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.781617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.781617 (E_RNA)
where:
Base-Base interactions energy: -391.510
where: short stacking energy: -153.762
Base-Backbone interact. energy: -0.243
local terms energy: -138.028061
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -45.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -527.530033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.530033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.530033 (E_RNA)
where:
Base-Base interactions energy: -382.845
where: short stacking energy: -153.622
Base-Backbone interact. energy: -0.009
local terms energy: -146.348979
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -46.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.672 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -503.402626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.402626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.402626 (E_RNA)
where:
Base-Base interactions energy: -362.481
where: short stacking energy: -139.455
Base-Backbone interact. energy: -0.007
local terms energy: -141.002214
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -43.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -505.431597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.431597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.431597 (E_RNA)
where:
Base-Base interactions energy: -363.185
where: short stacking energy: -146.629
Base-Backbone interact. energy: -0.590
local terms energy: -141.656201
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -45.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -497.237711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.237711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.237711 (E_RNA)
where:
Base-Base interactions energy: -365.701
where: short stacking energy: -137.626
Base-Backbone interact. energy: -0.001
local terms energy: -131.535845
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -42.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -488.967273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.967273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.967273 (E_RNA)
where:
Base-Base interactions energy: -354.758
where: short stacking energy: -141.137
Base-Backbone interact. energy: 1.391
local terms energy: -139.577551
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -24.489
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: -43.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.977 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -418.570271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.570271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.570271 (E_RNA)
where:
Base-Base interactions energy: -290.371
where: short stacking energy: -113.893
Base-Backbone interact. energy: -0.144
local terms energy: -128.055377
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -35.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -133.766684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.766684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.766684 (E_RNA)
where:
Base-Base interactions energy: -63.967
where: short stacking energy: -40.516
Base-Backbone interact. energy: -0.719
local terms energy: -69.081503
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: 3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -536.172390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.172390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.172390 (E_RNA)
where:
Base-Base interactions energy: -380.898
where: short stacking energy: -144.162
Base-Backbone interact. energy: -0.015
local terms energy: -155.259376
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -28.567
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -46.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -542.813477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.813477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.813477 (E_RNA)
where:
Base-Base interactions energy: -388.362
where: short stacking energy: -146.762
Base-Backbone interact. energy: -0.285
local terms energy: -154.165589
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -31.704
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -45.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -523.379591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.379591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.379591 (E_RNA)
where:
Base-Base interactions energy: -381.161
where: short stacking energy: -141.068
Base-Backbone interact. energy: -0.072
local terms energy: -142.146105
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -28.683
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -39.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -529.301809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.301809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.301809 (E_RNA)
where:
Base-Base interactions energy: -380.435
where: short stacking energy: -144.528
Base-Backbone interact. energy: -0.001
local terms energy: -148.865826
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -20.417
tors. eta vs tors. theta energy: -46.998
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: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -506.699915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.699915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.699915 (E_RNA)
where:
Base-Base interactions energy: -367.278
where: short stacking energy: -131.551
Base-Backbone interact. energy: 0.931
local terms energy: -143.147692
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -41.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.794 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -492.991060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.991060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.991060 (E_RNA)
where:
Base-Base interactions energy: -362.512
where: short stacking energy: -144.862
Base-Backbone interact. energy: -0.003
local terms energy: -130.502396
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -43.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.026 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -504.399455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.399455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.399455 (E_RNA)
where:
Base-Base interactions energy: -371.923
where: short stacking energy: -141.635
Base-Backbone interact. energy: -0.165
local terms energy: -134.131507
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -29.227
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -46.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.820 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -433.923969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.923969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.923969 (E_RNA)
where:
Base-Base interactions energy: -314.954
where: short stacking energy: -118.977
Base-Backbone interact. energy: -0.128
local terms energy: -118.842156
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -28.751
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -35.600
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: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -432.777509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.777509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.777509 (E_RNA)
where:
Base-Base interactions energy: -305.634
where: short stacking energy: -127.806
Base-Backbone interact. energy: -0.282
local terms energy: -126.861561
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -33.085
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: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -129.343484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.343484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.343484 (E_RNA)
where:
Base-Base interactions energy: -55.369
where: short stacking energy: -33.523
Base-Backbone interact. energy: -1.297
local terms energy: -72.677823
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -548.254004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.254004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.254004 (E_RNA)
where:
Base-Base interactions energy: -397.484
where: short stacking energy: -152.862
Base-Backbone interact. energy: -0.004
local terms energy: -150.766022
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -47.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -534.608204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.608204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.608204 (E_RNA)
where:
Base-Base interactions energy: -384.210
where: short stacking energy: -145.073
Base-Backbone interact. energy: -0.219
local terms energy: -150.179036
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -31.334
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -44.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -524.663152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.663152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.663152 (E_RNA)
where:
Base-Base interactions energy: -383.185
where: short stacking energy: -148.845
Base-Backbone interact. energy: -0.004
local terms energy: -141.473436
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -44.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -522.031674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.031674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.031674 (E_RNA)
where:
Base-Base interactions energy: -384.654
where: short stacking energy: -148.543
Base-Backbone interact. energy: -0.003
local terms energy: -137.374187
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -46.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -485.591408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.591408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.591408 (E_RNA)
where:
Base-Base interactions energy: -353.470
where: short stacking energy: -137.343
Base-Backbone interact. energy: -0.085
local terms energy: -132.035986
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -41.070
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: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -495.190693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.190693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.190693 (E_RNA)
where:
Base-Base interactions energy: -356.398
where: short stacking energy: -137.693
Base-Backbone interact. energy: -0.005
local terms energy: -139.484590
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -21.832
tors. eta vs tors. theta energy: -41.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.696 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -506.059860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.059860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.059860 (E_RNA)
where:
Base-Base interactions energy: -374.877
where: short stacking energy: -146.873
Base-Backbone interact. energy: -0.747
local terms energy: -130.436629
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -45.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -445.971469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.971469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.971469 (E_RNA)
where:
Base-Base interactions energy: -325.524
where: short stacking energy: -118.092
Base-Backbone interact. energy: -0.136
local terms energy: -120.310798
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -37.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -415.736137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.736137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.736137 (E_RNA)
where:
Base-Base interactions energy: -293.229
where: short stacking energy: -120.340
Base-Backbone interact. energy: -0.022
local terms energy: -122.484599
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -33.332
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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -123.024111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.024111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.024111 (E_RNA)
where:
Base-Base interactions energy: -38.943
where: short stacking energy: -35.112
Base-Backbone interact. energy: -0.342
local terms energy: -83.739176
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -10.659
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: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -549.145819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.145819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.145819 (E_RNA)
where:
Base-Base interactions energy: -398.222
where: short stacking energy: -156.417
Base-Backbone interact. energy: -0.005
local terms energy: -150.918505
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -47.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -527.996380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.996380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.996380 (E_RNA)
where:
Base-Base interactions energy: -374.266
where: short stacking energy: -147.609
Base-Backbone interact. energy: -0.000
local terms energy: -154.114531
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -47.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -524.186770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.186770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.186770 (E_RNA)
where:
Base-Base interactions energy: -381.304
where: short stacking energy: -149.888
Base-Backbone interact. energy: -0.011
local terms energy: -143.043094
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -46.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.172 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -523.595326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.595326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.595326 (E_RNA)
where:
Base-Base interactions energy: -372.641
where: short stacking energy: -144.462
Base-Backbone interact. energy: -0.001
local terms energy: -150.953395
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -44.096
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: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -496.307842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.307842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.307842 (E_RNA)
where:
Base-Base interactions energy: -357.200
where: short stacking energy: -140.320
Base-Backbone interact. energy: -0.005
local terms energy: -139.103662
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -43.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -501.505755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.505755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.505755 (E_RNA)
where:
Base-Base interactions energy: -355.844
where: short stacking energy: -135.437
Base-Backbone interact. energy: -0.022
local terms energy: -145.640551
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -38.283
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: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -490.125141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.125141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.125141 (E_RNA)
where:
Base-Base interactions energy: -353.604
where: short stacking energy: -136.140
Base-Backbone interact. energy: -0.060
local terms energy: -136.461070
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -40.168
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: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -436.551620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.551620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.551620 (E_RNA)
where:
Base-Base interactions energy: -304.185
where: short stacking energy: -118.140
Base-Backbone interact. energy: -0.234
local terms energy: -133.215897
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -33.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.083 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -426.107964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.107964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.107964 (E_RNA)
where:
Base-Base interactions energy: -315.506
where: short stacking energy: -120.579
Base-Backbone interact. energy: -0.010
local terms energy: -110.592090
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -38.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -123.139073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.139073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.139073 (E_RNA)
where:
Base-Base interactions energy: -51.865
where: short stacking energy: -35.776
Base-Backbone interact. energy: 0.677
local terms energy: -72.537085
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -7.536
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: 0.586 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -540.301425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.301425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.301425 (E_RNA)
where:
Base-Base interactions energy: -386.023
where: short stacking energy: -148.585
Base-Backbone interact. energy: -0.003
local terms energy: -154.800558
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -27.370
flat angles C4'-P-C4' energy: -30.331
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -46.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.526 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -540.534343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.534343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.534343 (E_RNA)
where:
Base-Base interactions energy: -385.312
where: short stacking energy: -147.317
Base-Backbone interact. energy: -0.001
local terms energy: -155.221027
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -45.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -530.327873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.327873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.327873 (E_RNA)
where:
Base-Base interactions energy: -381.701
where: short stacking energy: -149.202
Base-Backbone interact. energy: -0.001
local terms energy: -149.658130
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -46.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.031 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -529.115333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.115333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.115333 (E_RNA)
where:
Base-Base interactions energy: -377.866
where: short stacking energy: -147.406
Base-Backbone interact. energy: -0.238
local terms energy: -151.011067
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -45.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -524.417182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.417182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.417182 (E_RNA)
where:
Base-Base interactions energy: -370.865
where: short stacking energy: -142.251
Base-Backbone interact. energy: -0.001
local terms energy: -153.551443
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -46.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -502.212263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.212263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.212263 (E_RNA)
where:
Base-Base interactions energy: -361.935
where: short stacking energy: -133.702
Base-Backbone interact. energy: -0.003
local terms energy: -140.273565
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -45.659
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: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -441.970750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.970750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.970750 (E_RNA)
where:
Base-Base interactions energy: -325.195
where: short stacking energy: -127.891
Base-Backbone interact. energy: -0.101
local terms energy: -118.695830
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -36.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.022 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -455.370909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.370909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.370909 (E_RNA)
where:
Base-Base interactions energy: -335.807
where: short stacking energy: -120.110
Base-Backbone interact. energy: 0.937
local terms energy: -120.501586
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -40.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -410.631049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.631049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.631049 (E_RNA)
where:
Base-Base interactions energy: -292.917
where: short stacking energy: -120.332
Base-Backbone interact. energy: 1.082
local terms energy: -118.795816
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -30.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -136.705384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.705384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.705384 (E_RNA)
where:
Base-Base interactions energy: -50.769
where: short stacking energy: -47.195
Base-Backbone interact. energy: -0.432
local terms energy: -85.504436
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -532.080081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.080081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.080081 (E_RNA)
where:
Base-Base interactions energy: -380.657
where: short stacking energy: -154.393
Base-Backbone interact. energy: -0.012
local terms energy: -152.196731
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -43.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.785 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -537.639342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.639342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.639342 (E_RNA)
where:
Base-Base interactions energy: -384.107
where: short stacking energy: -142.620
Base-Backbone interact. energy: -0.329
local terms energy: -153.203877
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -44.758
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: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -528.717883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.717883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.717883 (E_RNA)
where:
Base-Base interactions energy: -380.119
where: short stacking energy: -149.077
Base-Backbone interact. energy: -0.496
local terms energy: -148.102856
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -47.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -533.884136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.884136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.884136 (E_RNA)
where:
Base-Base interactions energy: -377.756
where: short stacking energy: -148.398
Base-Backbone interact. energy: -0.001
local terms energy: -156.127184
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -29.718
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -48.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -512.887716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.887716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.887716 (E_RNA)
where:
Base-Base interactions energy: -369.446
where: short stacking energy: -141.017
Base-Backbone interact. energy: -0.009
local terms energy: -143.432742
where:
bonds (distance) C4'-P energy: -23.540
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -20.873
tors. eta vs tors. theta energy: -44.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -503.346087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.346087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.346087 (E_RNA)
where:
Base-Base interactions energy: -368.846
where: short stacking energy: -140.584
Base-Backbone interact. energy: -0.000
local terms energy: -136.075914
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -42.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.576 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -439.343498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.343498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.343498 (E_RNA)
where:
Base-Base interactions energy: -308.048
where: short stacking energy: -121.909
Base-Backbone interact. energy: 0.754
local terms energy: -132.634209
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -25.167
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -37.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.585 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -433.904395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.904395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.904395 (E_RNA)
where:
Base-Base interactions energy: -318.338
where: short stacking energy: -121.497
Base-Backbone interact. energy: -0.024
local terms energy: -115.763057
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -33.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.221 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -429.172240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.172240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.172240 (E_RNA)
where:
Base-Base interactions energy: -304.435
where: short stacking energy: -113.023
Base-Backbone interact. energy: -0.227
local terms energy: -124.510002
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -30.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -112.981268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.981268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.981268 (E_RNA)
where:
Base-Base interactions energy: -39.946
where: short stacking energy: -27.073
Base-Backbone interact. energy: -0.456
local terms energy: -72.579046
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: 5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -549.709144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.709144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.709144 (E_RNA)
where:
Base-Base interactions energy: -385.579
where: short stacking energy: -148.331
Base-Backbone interact. energy: -0.105
local terms energy: -164.951382
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -32.627
flat angles C4'-P-C4' energy: -32.631
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -45.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.926 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -536.867810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.867810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.867810 (E_RNA)
where:
Base-Base interactions energy: -381.692
where: short stacking energy: -144.393
Base-Backbone interact. energy: -0.039
local terms energy: -155.137367
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -43.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -531.394968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.394968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.394968 (E_RNA)
where:
Base-Base interactions energy: -384.133
where: short stacking energy: -150.822
Base-Backbone interact. energy: -0.000
local terms energy: -147.261346
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -46.676
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -530.245623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.245623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.245623 (E_RNA)
where:
Base-Base interactions energy: -385.607
where: short stacking energy: -148.641
Base-Backbone interact. energy: 2.120
local terms energy: -146.758300
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -43.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -513.447532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.447532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.447532 (E_RNA)
where:
Base-Base interactions energy: -375.192
where: short stacking energy: -140.246
Base-Backbone interact. energy: -0.005
local terms energy: -138.250282
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -29.743
flat angles P-C4'-P energy: -25.286
tors. eta vs tors. theta energy: -42.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -506.971224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.971224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.971224 (E_RNA)
where:
Base-Base interactions energy: -362.398
where: short stacking energy: -142.327
Base-Backbone interact. energy: -0.049
local terms energy: -144.524115
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -44.521
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: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -468.174143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.174143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.174143 (E_RNA)
where:
Base-Base interactions energy: -340.035
where: short stacking energy: -133.315
Base-Backbone interact. energy: -0.472
local terms energy: -127.666276
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -28.482
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -458.227512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.227512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.227512 (E_RNA)
where:
Base-Base interactions energy: -323.823
where: short stacking energy: -122.521
Base-Backbone interact. energy: -0.550
local terms energy: -133.853747
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -25.220
tors. eta vs tors. theta energy: -38.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -425.617604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.617604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.617604 (E_RNA)
where:
Base-Base interactions energy: -293.497
where: short stacking energy: -117.069
Base-Backbone interact. energy: -0.223
local terms energy: -131.898026
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -107.265517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.265517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.265517 (E_RNA)
where:
Base-Base interactions energy: -34.517
where: short stacking energy: -25.851
Base-Backbone interact. energy: 4.246
local terms energy: -76.994620
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: 8.139
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: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -550.559946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.559946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.559946 (E_RNA)
where:
Base-Base interactions energy: -392.865
where: short stacking energy: -153.527
Base-Backbone interact. energy: -0.000
local terms energy: -157.694614
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -45.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -535.313599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.313599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.313599 (E_RNA)
where:
Base-Base interactions energy: -375.982
where: short stacking energy: -140.283
Base-Backbone interact. energy: -0.007
local terms energy: -159.324983
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -45.508
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: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -516.892917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.892917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.892917 (E_RNA)
where:
Base-Base interactions energy: -364.904
where: short stacking energy: -149.282
Base-Backbone interact. energy: -0.100
local terms energy: -151.888425
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -45.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -519.295906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.295906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.295906 (E_RNA)
where:
Base-Base interactions energy: -380.543
where: short stacking energy: -149.795
Base-Backbone interact. energy: -0.240
local terms energy: -138.512995
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -47.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -509.229020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.229020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.229020 (E_RNA)
where:
Base-Base interactions energy: -356.510
where: short stacking energy: -135.882
Base-Backbone interact. energy: -0.005
local terms energy: -152.714639
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -42.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -476.892577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.892577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.892577 (E_RNA)
where:
Base-Base interactions energy: -341.662
where: short stacking energy: -126.238
Base-Backbone interact. energy: -0.203
local terms energy: -135.027976
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -43.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -506.612899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.612899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.612899 (E_RNA)
where:
Base-Base interactions energy: -368.906
where: short stacking energy: -140.377
Base-Backbone interact. energy: -0.224
local terms energy: -137.482910
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -489.020231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.020231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.020231 (E_RNA)
where:
Base-Base interactions energy: -354.803
where: short stacking energy: -143.069
Base-Backbone interact. energy: -0.007
local terms energy: -134.284360
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -42.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.074 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -431.662250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.662250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.662250 (E_RNA)
where:
Base-Base interactions energy: -298.947
where: short stacking energy: -112.419
Base-Backbone interact. energy: -0.375
local terms energy: -132.340755
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -34.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -157.442894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.442894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.442894 (E_RNA)
where:
Base-Base interactions energy: -84.480
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.603
local terms energy: -72.359261
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -552.395900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.395900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.395900 (E_RNA)
where:
Base-Base interactions energy: -392.486
where: short stacking energy: -151.038
Base-Backbone interact. energy: -0.001
local terms energy: -159.908797
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -48.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -540.554763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.554763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.554763 (E_RNA)
where:
Base-Base interactions energy: -385.466
where: short stacking energy: -148.581
Base-Backbone interact. energy: -0.002
local terms energy: -155.086203
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -48.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -524.690981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.690981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.690981 (E_RNA)
where:
Base-Base interactions energy: -380.010
where: short stacking energy: -145.109
Base-Backbone interact. energy: -0.001
local terms energy: -144.680300
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -28.751
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -45.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -522.530412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.530412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.530412 (E_RNA)
where:
Base-Base interactions energy: -378.127
where: short stacking energy: -142.209
Base-Backbone interact. energy: -0.003
local terms energy: -144.401342
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -45.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -515.991898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.991898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.991898 (E_RNA)
where:
Base-Base interactions energy: -381.177
where: short stacking energy: -145.523
Base-Backbone interact. energy: -0.013
local terms energy: -135.541883
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -43.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.740 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -487.829022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.829022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.829022 (E_RNA)
where:
Base-Base interactions energy: -354.207
where: short stacking energy: -139.543
Base-Backbone interact. energy: 0.529
local terms energy: -134.150549
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -37.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -494.489833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.489833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.489833 (E_RNA)
where:
Base-Base interactions energy: -350.702
where: short stacking energy: -137.777
Base-Backbone interact. energy: -0.008
local terms energy: -143.780600
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -42.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -497.061328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.061328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.061328 (E_RNA)
where:
Base-Base interactions energy: -370.349
where: short stacking energy: -139.899
Base-Backbone interact. energy: -0.020
local terms energy: -126.691515
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -45.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -420.954042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.954042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.954042 (E_RNA)
where:
Base-Base interactions energy: -289.593
where: short stacking energy: -121.416
Base-Backbone interact. energy: -0.103
local terms energy: -131.372742
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -25.926
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -36.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.115 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -117.436464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.436464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.436464 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.593
local terms energy: -75.813649
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: 4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -549.960593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.960593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.960593 (E_RNA)
where:
Base-Base interactions energy: -397.254
where: short stacking energy: -154.906
Base-Backbone interact. energy: -0.045
local terms energy: -154.366649
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -47.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.705 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -543.084366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.084366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.084366 (E_RNA)
where:
Base-Base interactions energy: -388.353
where: short stacking energy: -152.441
Base-Backbone interact. energy: -0.698
local terms energy: -154.033055
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -45.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -537.706018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.706018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.706018 (E_RNA)
where:
Base-Base interactions energy: -377.565
where: short stacking energy: -148.345
Base-Backbone interact. energy: -0.043
local terms energy: -160.097910
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -25.666
tors. eta vs tors. theta energy: -46.403
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: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -518.917380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.917380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.917380 (E_RNA)
where:
Base-Base interactions energy: -373.841
where: short stacking energy: -141.286
Base-Backbone interact. energy: -0.042
local terms energy: -145.048360
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -45.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.014 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -519.158903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.158903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.158903 (E_RNA)
where:
Base-Base interactions energy: -375.048
where: short stacking energy: -145.809
Base-Backbone interact. energy: -0.002
local terms energy: -144.109596
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -46.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -511.983298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.983298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.983298 (E_RNA)
where:
Base-Base interactions energy: -370.436
where: short stacking energy: -140.891
Base-Backbone interact. energy: -0.245
local terms energy: -141.302578
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -45.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -485.309175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.309175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.309175 (E_RNA)
where:
Base-Base interactions energy: -350.900
where: short stacking energy: -133.563
Base-Backbone interact. energy: -0.261
local terms energy: -134.148527
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -38.526
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: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -480.418882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.418882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.418882 (E_RNA)
where:
Base-Base interactions energy: -337.883
where: short stacking energy: -127.195
Base-Backbone interact. energy: 2.524
local terms energy: -145.060598
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -40.975
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: 351
Temperature: 1.300000
Total energy: -408.584565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.584565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.584565 (E_RNA)
where:
Base-Base interactions energy: -288.410
where: short stacking energy: -107.462
Base-Backbone interact. energy: -0.486
local terms energy: -119.688703
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -36.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -132.349050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.349050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.349050 (E_RNA)
where:
Base-Base interactions energy: -34.148
where: short stacking energy: -27.279
Base-Backbone interact. energy: 0.070
local terms energy: -99.505390
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -18.421
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: 1.234 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -548.991370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.991370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.991370 (E_RNA)
where:
Base-Base interactions energy: -393.031
where: short stacking energy: -155.345
Base-Backbone interact. energy: -0.280
local terms energy: -155.680159
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -47.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -542.268216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.268216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.268216 (E_RNA)
where:
Base-Base interactions energy: -392.363
where: short stacking energy: -151.371
Base-Backbone interact. energy: 0.084
local terms energy: -149.989801
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -28.574
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -44.784
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: 352
Temperature: 1.000000
Total energy: -532.587663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.587663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.587663 (E_RNA)
where:
Base-Base interactions energy: -384.816
where: short stacking energy: -147.262
Base-Backbone interact. energy: -0.002
local terms energy: -148.171244
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -47.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.401 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -529.743911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.743911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.743911 (E_RNA)
where:
Base-Base interactions energy: -378.803
where: short stacking energy: -145.951
Base-Backbone interact. energy: -0.343
local terms energy: -150.598010
where:
bonds (distance) C4'-P energy: -26.842
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -23.097
tors. eta vs tors. theta energy: -48.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -507.485940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.485940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.485940 (E_RNA)
where:
Base-Base interactions energy: -365.598
where: short stacking energy: -139.371
Base-Backbone interact. energy: -0.001
local terms energy: -141.887241
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -42.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -517.052475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.052475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.052475 (E_RNA)
where:
Base-Base interactions energy: -379.816
where: short stacking energy: -145.519
Base-Backbone interact. energy: -0.002
local terms energy: -137.662167
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -28.151
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -47.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.427 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -494.946035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.946035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.946035 (E_RNA)
where:
Base-Base interactions energy: -352.630
where: short stacking energy: -134.509
Base-Backbone interact. energy: -0.001
local terms energy: -142.440379
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -42.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.125 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -468.355054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.355054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.355054 (E_RNA)
where:
Base-Base interactions energy: -336.544
where: short stacking energy: -127.264
Base-Backbone interact. energy: -0.001
local terms energy: -131.810623
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -41.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -397.541622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.541622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.541622 (E_RNA)
where:
Base-Base interactions energy: -276.376
where: short stacking energy: -107.495
Base-Backbone interact. energy: -0.178
local terms energy: -121.589675
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.602 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -118.781319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.781319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.781319 (E_RNA)
where:
Base-Base interactions energy: -41.153
where: short stacking energy: -39.793
Base-Backbone interact. energy: -2.013
local terms energy: -77.561373
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.947 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -543.337436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.337436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.337436 (E_RNA)
where:
Base-Base interactions energy: -396.949
where: short stacking energy: -161.796
Base-Backbone interact. energy: -0.001
local terms energy: -146.388119
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -44.874
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: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -539.302228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.302228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.302228 (E_RNA)
where:
Base-Base interactions energy: -387.251
where: short stacking energy: -148.980
Base-Backbone interact. energy: -0.198
local terms energy: -151.853473
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -47.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -527.979630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.979630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.979630 (E_RNA)
where:
Base-Base interactions energy: -378.155
where: short stacking energy: -146.975
Base-Backbone interact. energy: -0.170
local terms energy: -149.654751
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -25.478
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -20.687
tors. eta vs tors. theta energy: -47.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -512.333286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.333286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.333286 (E_RNA)
where:
Base-Base interactions energy: -366.055
where: short stacking energy: -138.086
Base-Backbone interact. energy: -0.048
local terms energy: -146.230482
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -22.337
tors. eta vs tors. theta energy: -44.197
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: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -519.915661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.915661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.915661 (E_RNA)
where:
Base-Base interactions energy: -373.204
where: short stacking energy: -143.719
Base-Backbone interact. energy: -0.000
local terms energy: -146.711723
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -46.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -511.184521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.184521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.184521 (E_RNA)
where:
Base-Base interactions energy: -371.877
where: short stacking energy: -140.429
Base-Backbone interact. energy: -0.001
local terms energy: -139.306317
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -43.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -486.486373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.486373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.486373 (E_RNA)
where:
Base-Base interactions energy: -347.743
where: short stacking energy: -134.807
Base-Backbone interact. energy: -0.831
local terms energy: -138.035898
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -39.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.123 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -452.895830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.895830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.895830 (E_RNA)
where:
Base-Base interactions energy: -328.719
where: short stacking energy: -124.429
Base-Backbone interact. energy: -0.137
local terms energy: -124.039944
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -38.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -397.533251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.533251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.533251 (E_RNA)
where:
Base-Base interactions energy: -268.189
where: short stacking energy: -107.465
Base-Backbone interact. energy: -1.162
local terms energy: -128.454479
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -28.771
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -32.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.272 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -121.552361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.552361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.552361 (E_RNA)
where:
Base-Base interactions energy: -49.594
where: short stacking energy: -46.124
Base-Backbone interact. energy: 1.311
local terms energy: -73.639298
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.370 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -547.168321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.168321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.168321 (E_RNA)
where:
Base-Base interactions energy: -397.267
where: short stacking energy: -150.504
Base-Backbone interact. energy: -0.044
local terms energy: -149.917510
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -27.818
flat angles C4'-P-C4' energy: -30.536
flat angles P-C4'-P energy: -20.933
tors. eta vs tors. theta energy: -47.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.060 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -549.131991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.131991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.131991 (E_RNA)
where:
Base-Base interactions energy: -389.479
where: short stacking energy: -146.139
Base-Backbone interact. energy: -0.002
local terms energy: -159.651608
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -515.690684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.690684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.690684 (E_RNA)
where:
Base-Base interactions energy: -363.110
where: short stacking energy: -140.892
Base-Backbone interact. energy: -0.000
local terms energy: -152.581014
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -29.382
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -45.084
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: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -528.691444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.691444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.691444 (E_RNA)
where:
Base-Base interactions energy: -383.956
where: short stacking energy: -149.265
Base-Backbone interact. energy: -0.000
local terms energy: -145.127971
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -47.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.393 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -517.417853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.417853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.417853 (E_RNA)
where:
Base-Base interactions energy: -376.382
where: short stacking energy: -147.808
Base-Backbone interact. energy: -0.000
local terms energy: -141.035728
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -44.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -510.352312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.352312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.352312 (E_RNA)
where:
Base-Base interactions energy: -371.152
where: short stacking energy: -148.014
Base-Backbone interact. energy: -0.001
local terms energy: -139.198554
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -44.092
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: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -497.291948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.291948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.291948 (E_RNA)
where:
Base-Base interactions energy: -351.559
where: short stacking energy: -137.145
Base-Backbone interact. energy: -1.209
local terms energy: -144.523599
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -42.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -468.646924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.646924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.646924 (E_RNA)
where:
Base-Base interactions energy: -341.848
where: short stacking energy: -123.796
Base-Backbone interact. energy: 1.552
local terms energy: -129.290489
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -35.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.939 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -392.111591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.111591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.111591 (E_RNA)
where:
Base-Base interactions energy: -278.507
where: short stacking energy: -115.032
Base-Backbone interact. energy: -0.254
local terms energy: -113.350644
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -33.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -111.513326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.513326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.513326 (E_RNA)
where:
Base-Base interactions energy: -40.529
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.525
local terms energy: -71.112594
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: 3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.653 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -537.308730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.308730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.308730 (E_RNA)
where:
Base-Base interactions energy: -389.939
where: short stacking energy: -153.975
Base-Backbone interact. energy: -0.011
local terms energy: -147.437025
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -44.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -535.143568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.143568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.143568 (E_RNA)
where:
Base-Base interactions energy: -381.575
where: short stacking energy: -154.133
Base-Backbone interact. energy: -0.001
local terms energy: -154.543689
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -48.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.976 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -530.405506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.405506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.405506 (E_RNA)
where:
Base-Base interactions energy: -377.042
where: short stacking energy: -145.459
Base-Backbone interact. energy: -0.000
local terms energy: -153.363167
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -31.196
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -46.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -521.658033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.658033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.658033 (E_RNA)
where:
Base-Base interactions energy: -371.328
where: short stacking energy: -143.571
Base-Backbone interact. energy: -0.000
local terms energy: -150.329475
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -46.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -516.857079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.857079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.857079 (E_RNA)
where:
Base-Base interactions energy: -371.070
where: short stacking energy: -146.826
Base-Backbone interact. energy: -0.002
local terms energy: -145.784668
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -48.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -507.254679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.254679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.254679 (E_RNA)
where:
Base-Base interactions energy: -367.128
where: short stacking energy: -137.604
Base-Backbone interact. energy: -0.126
local terms energy: -140.109134
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -26.015
tors. eta vs tors. theta energy: -43.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.109 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -496.950485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.950485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.950485 (E_RNA)
where:
Base-Base interactions energy: -352.911
where: short stacking energy: -141.597
Base-Backbone interact. energy: -0.789
local terms energy: -143.250467
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -43.154
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: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -488.446377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.446377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.446377 (E_RNA)
where:
Base-Base interactions energy: -359.438
where: short stacking energy: -140.793
Base-Backbone interact. energy: -0.042
local terms energy: -130.968863
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -39.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.002 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -405.581946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.581946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.581946 (E_RNA)
where:
Base-Base interactions energy: -274.240
where: short stacking energy: -104.461
Base-Backbone interact. energy: -1.422
local terms energy: -130.172827
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -29.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.253 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -116.853222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.853222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.853222 (E_RNA)
where:
Base-Base interactions energy: -43.238
where: short stacking energy: -27.036
Base-Backbone interact. energy: 0.912
local terms energy: -75.068568
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -12.379
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: 0.542 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -547.248876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.248876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.248876 (E_RNA)
where:
Base-Base interactions energy: -390.433
where: short stacking energy: -155.057
Base-Backbone interact. energy: -0.001
local terms energy: -157.402384
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -30.196
flat angles P-C4'-P energy: -24.063
tors. eta vs tors. theta energy: -47.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.587 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -549.018165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.018165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.018165 (E_RNA)
where:
Base-Base interactions energy: -390.917
where: short stacking energy: -148.648
Base-Backbone interact. energy: -0.002
local terms energy: -158.126833
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -523.773203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.773203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.773203 (E_RNA)
where:
Base-Base interactions energy: -383.801
where: short stacking energy: -149.799
Base-Backbone interact. energy: -0.000
local terms energy: -139.971529
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -48.115
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: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -524.807156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.807156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.807156 (E_RNA)
where:
Base-Base interactions energy: -379.983
where: short stacking energy: -146.340
Base-Backbone interact. energy: -0.000
local terms energy: -144.824005
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -46.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -519.379456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.379456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.379456 (E_RNA)
where:
Base-Base interactions energy: -370.773
where: short stacking energy: -140.525
Base-Backbone interact. energy: -0.037
local terms energy: -148.569593
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -48.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -513.502950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.502950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.502950 (E_RNA)
where:
Base-Base interactions energy: -367.734
where: short stacking energy: -140.091
Base-Backbone interact. energy: -0.027
local terms energy: -145.741784
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -46.565
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: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -476.948309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.948309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.948309 (E_RNA)
where:
Base-Base interactions energy: -344.514
where: short stacking energy: -132.885
Base-Backbone interact. energy: 1.209
local terms energy: -133.643691
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -42.122
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: 356
Temperature: 1.250000
Total energy: -474.735551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.735551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.735551 (E_RNA)
where:
Base-Base interactions energy: -352.437
where: short stacking energy: -135.763
Base-Backbone interact. energy: -0.283
local terms energy: -122.014980
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -39.937
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: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -426.964439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.964439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.964439 (E_RNA)
where:
Base-Base interactions energy: -301.385
where: short stacking energy: -116.043
Base-Backbone interact. energy: -0.276
local terms energy: -125.303724
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -26.969
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: -33.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -124.107788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.107788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.107788 (E_RNA)
where:
Base-Base interactions energy: -45.442
where: short stacking energy: -32.143
Base-Backbone interact. energy: -0.929
local terms energy: -77.737671
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -4.602
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: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -552.584012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.584012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.584012 (E_RNA)
where:
Base-Base interactions energy: -393.362
where: short stacking energy: -151.482
Base-Backbone interact. energy: -0.261
local terms energy: -159.550066
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -46.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.589 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -533.294314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.294314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.294314 (E_RNA)
where:
Base-Base interactions energy: -387.793
where: short stacking energy: -154.447
Base-Backbone interact. energy: -0.123
local terms energy: -145.672275
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.294 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -538.653865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.653865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.653865 (E_RNA)
where:
Base-Base interactions energy: -386.545
where: short stacking energy: -148.433
Base-Backbone interact. energy: 0.050
local terms energy: -152.158867
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -34.004
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -46.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -512.623720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.623720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.623720 (E_RNA)
where:
Base-Base interactions energy: -376.133
where: short stacking energy: -140.674
Base-Backbone interact. energy: -0.006
local terms energy: -136.484578
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -42.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -506.610068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.610068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.610068 (E_RNA)
where:
Base-Base interactions energy: -372.680
where: short stacking energy: -142.080
Base-Backbone interact. energy: -0.006
local terms energy: -133.967538
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -41.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -514.618991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.618991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.618991 (E_RNA)
where:
Base-Base interactions energy: -374.959
where: short stacking energy: -148.445
Base-Backbone interact. energy: -0.201
local terms energy: -140.887719
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -46.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.429 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -504.074364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.074364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.074364 (E_RNA)
where:
Base-Base interactions energy: -363.471
where: short stacking energy: -145.469
Base-Backbone interact. energy: -0.001
local terms energy: -140.603167
where:
bonds (distance) C4'-P energy: -25.800
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -42.082
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: 357
Temperature: 1.250000
Total energy: -468.118213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.118213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.118213 (E_RNA)
where:
Base-Base interactions energy: -342.424
where: short stacking energy: -134.183
Base-Backbone interact. energy: -0.009
local terms energy: -125.685454
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -40.838
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: 357
Temperature: 1.300000
Total energy: -413.690050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.690050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.690050 (E_RNA)
where:
Base-Base interactions energy: -289.138
where: short stacking energy: -114.814
Base-Backbone interact. energy: 0.144
local terms energy: -124.877441
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -27.573
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -34.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.182 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -138.987525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.987525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.987525 (E_RNA)
where:
Base-Base interactions energy: -70.807
where: short stacking energy: -37.039
Base-Backbone interact. energy: 0.703
local terms energy: -68.883745
where:
bonds (distance) C4'-P energy: -26.783
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -7.419
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: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -542.223469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.223469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.223469 (E_RNA)
where:
Base-Base interactions energy: -388.074
where: short stacking energy: -152.206
Base-Backbone interact. energy: -0.003
local terms energy: -154.146084
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -46.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -540.744021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.744021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.744021 (E_RNA)
where:
Base-Base interactions energy: -387.816
where: short stacking energy: -150.381
Base-Backbone interact. energy: -0.001
local terms energy: -152.927138
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -30.451
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -47.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -546.451476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.451476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.451476 (E_RNA)
where:
Base-Base interactions energy: -387.240
where: short stacking energy: -150.392
Base-Backbone interact. energy: -0.000
local terms energy: -159.211411
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -31.256
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -47.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -520.819122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.819122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.819122 (E_RNA)
where:
Base-Base interactions energy: -382.235
where: short stacking energy: -141.129
Base-Backbone interact. energy: -0.181
local terms energy: -138.403376
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -44.400
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: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -528.349430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.349430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.349430 (E_RNA)
where:
Base-Base interactions energy: -383.932
where: short stacking energy: -143.392
Base-Backbone interact. energy: -0.602
local terms energy: -143.815620
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -47.721
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: 358
Temperature: 1.150000
Total energy: -513.107864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.107864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.107864 (E_RNA)
where:
Base-Base interactions energy: -364.923
where: short stacking energy: -135.041
Base-Backbone interact. energy: -0.001
local terms energy: -148.183846
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -46.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -517.503794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.503794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.503794 (E_RNA)
where:
Base-Base interactions energy: -369.027
where: short stacking energy: -140.894
Base-Backbone interact. energy: -0.001
local terms energy: -148.476244
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -46.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -490.109696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.109696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.109696 (E_RNA)
where:
Base-Base interactions energy: -348.028
where: short stacking energy: -138.518
Base-Backbone interact. energy: -0.005
local terms energy: -142.077196
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -405.409814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.409814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.409814 (E_RNA)
where:
Base-Base interactions energy: -298.665
where: short stacking energy: -113.702
Base-Backbone interact. energy: -0.040
local terms energy: -106.704790
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -33.856
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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -138.006766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.006766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.006766 (E_RNA)
where:
Base-Base interactions energy: -57.900
where: short stacking energy: -46.107
Base-Backbone interact. energy: 2.314
local terms energy: -82.420063
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -547.396620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.396620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.396620 (E_RNA)
where:
Base-Base interactions energy: -395.054
where: short stacking energy: -152.148
Base-Backbone interact. energy: -0.004
local terms energy: -152.338694
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -29.773
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -46.472
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: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -541.536643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.536643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.536643 (E_RNA)
where:
Base-Base interactions energy: -386.506
where: short stacking energy: -151.304
Base-Backbone interact. energy: -0.590
local terms energy: -154.440780
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -46.768
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: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -531.845719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.845719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.845719 (E_RNA)
where:
Base-Base interactions energy: -381.900
where: short stacking energy: -151.789
Base-Backbone interact. energy: -0.010
local terms energy: -149.936000
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -44.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -524.237150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.237150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.237150 (E_RNA)
where:
Base-Base interactions energy: -376.246
where: short stacking energy: -147.992
Base-Backbone interact. energy: 0.111
local terms energy: -148.102172
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -30.516
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -43.491
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: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -522.920005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.920005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.920005 (E_RNA)
where:
Base-Base interactions energy: -380.260
where: short stacking energy: -143.810
Base-Backbone interact. energy: -0.001
local terms energy: -142.658833
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -47.190
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: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -512.030907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.030907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.030907 (E_RNA)
where:
Base-Base interactions energy: -378.764
where: short stacking energy: -144.193
Base-Backbone interact. energy: -0.003
local terms energy: -133.264748
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -46.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -505.523277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.523277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.523277 (E_RNA)
where:
Base-Base interactions energy: -373.623
where: short stacking energy: -138.201
Base-Backbone interact. energy: -0.487
local terms energy: -131.412667
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -45.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -503.844112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.844112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.844112 (E_RNA)
where:
Base-Base interactions energy: -359.548
where: short stacking energy: -132.792
Base-Backbone interact. energy: -0.122
local terms energy: -144.173668
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -43.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -419.685299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.685299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.685299 (E_RNA)
where:
Base-Base interactions energy: -301.782
where: short stacking energy: -113.545
Base-Backbone interact. energy: -0.160
local terms energy: -117.743412
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -30.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -131.003041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.003041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.003041 (E_RNA)
where:
Base-Base interactions energy: -59.922
where: short stacking energy: -40.203
Base-Backbone interact. energy: 0.206
local terms energy: -71.286601
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -544.169423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.169423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.169423 (E_RNA)
where:
Base-Base interactions energy: -388.979
where: short stacking energy: -155.849
Base-Backbone interact. energy: -0.133
local terms energy: -155.058077
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -23.119
tors. eta vs tors. theta energy: -47.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -540.771444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.771444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.771444 (E_RNA)
where:
Base-Base interactions energy: -391.232
where: short stacking energy: -150.208
Base-Backbone interact. energy: -0.366
local terms energy: -149.173150
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -44.137
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: 360
Temperature: 1.000000
Total energy: -534.570292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.570292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.570292 (E_RNA)
where:
Base-Base interactions energy: -383.197
where: short stacking energy: -144.115
Base-Backbone interact. energy: -0.076
local terms energy: -151.297863
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -46.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -520.282247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.282247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.282247 (E_RNA)
where:
Base-Base interactions energy: -378.031
where: short stacking energy: -143.458
Base-Backbone interact. energy: -0.064
local terms energy: -142.186850
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -44.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -516.062775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.062775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.062775 (E_RNA)
where:
Base-Base interactions energy: -375.028
where: short stacking energy: -142.831
Base-Backbone interact. energy: -0.291
local terms energy: -140.744165
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -43.625
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -510.413606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.413606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.413606 (E_RNA)
where:
Base-Base interactions energy: -365.970
where: short stacking energy: -139.589
Base-Backbone interact. energy: -0.000
local terms energy: -144.443410
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -46.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -498.915108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.915108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.915108 (E_RNA)
where:
Base-Base interactions energy: -362.356
where: short stacking energy: -141.305
Base-Backbone interact. energy: -0.010
local terms energy: -136.548997
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -44.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -481.220025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.220025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.220025 (E_RNA)
where:
Base-Base interactions energy: -344.058
where: short stacking energy: -136.448
Base-Backbone interact. energy: 1.736
local terms energy: -138.897302
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -43.550
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: 360
Temperature: 1.300000
Total energy: -414.816073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.816073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.816073 (E_RNA)
where:
Base-Base interactions energy: -295.677
where: short stacking energy: -122.865
Base-Backbone interact. energy: -0.036
local terms energy: -119.103111
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -32.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -121.083678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.083678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.083678 (E_RNA)
where:
Base-Base interactions energy: -40.070
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.318
local terms energy: -81.087285
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.392 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -544.058533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.058533 (E_RNA)
where:
Base-Base interactions energy: -384.501
where: short stacking energy: -147.975
Base-Backbone interact. energy: -0.124
local terms energy: -159.433750
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -29.553
flat angles C4'-P-C4' energy: -34.000
flat angles P-C4'-P energy: -24.139
tors. eta vs tors. theta energy: -43.779
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: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -540.331156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.331156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.331156 (E_RNA)
where:
Base-Base interactions energy: -383.027
where: short stacking energy: -148.950
Base-Backbone interact. energy: -0.244
local terms energy: -157.060511
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -43.296
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: 361
Temperature: 1.000000
Total energy: -535.844559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.844559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.844559 (E_RNA)
where:
Base-Base interactions energy: -391.952
where: short stacking energy: -151.802
Base-Backbone interact. energy: -0.003
local terms energy: -145.313950
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -44.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.424 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -521.338111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.338111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.338111 (E_RNA)
where:
Base-Base interactions energy: -368.402
where: short stacking energy: -133.904
Base-Backbone interact. energy: -0.200
local terms energy: -152.736355
where:
bonds (distance) C4'-P energy: -29.384
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -43.735
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: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -515.095488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.095488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.095488 (E_RNA)
where:
Base-Base interactions energy: -370.672
where: short stacking energy: -140.778
Base-Backbone interact. energy: -0.002
local terms energy: -144.421137
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -41.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -492.662527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.662527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.662527 (E_RNA)
where:
Base-Base interactions energy: -356.924
where: short stacking energy: -139.972
Base-Backbone interact. energy: -0.001
local terms energy: -136.034184
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -44.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.296 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -499.463844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.463844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.463844 (E_RNA)
where:
Base-Base interactions energy: -357.019
where: short stacking energy: -140.533
Base-Backbone interact. energy: -0.075
local terms energy: -142.369268
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -43.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -484.220608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.220608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.220608 (E_RNA)
where:
Base-Base interactions energy: -361.240
where: short stacking energy: -138.647
Base-Backbone interact. energy: -0.627
local terms energy: -122.354231
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -40.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -425.385077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.385077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.385077 (E_RNA)
where:
Base-Base interactions energy: -293.067
where: short stacking energy: -113.714
Base-Backbone interact. energy: -0.161
local terms energy: -132.156606
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -35.729
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: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -133.961329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.961329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.961329 (E_RNA)
where:
Base-Base interactions energy: -55.088
where: short stacking energy: -37.908
Base-Backbone interact. energy: -0.342
local terms energy: -78.531212
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -541.998704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.998704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.998704 (E_RNA)
where:
Base-Base interactions energy: -377.467
where: short stacking energy: -149.563
Base-Backbone interact. energy: -0.002
local terms energy: -164.529709
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -48.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -545.923312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.923312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.923312 (E_RNA)
where:
Base-Base interactions energy: -394.496
where: short stacking energy: -154.962
Base-Backbone interact. energy: -0.159
local terms energy: -151.268151
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -49.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -536.352082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.352082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.352082 (E_RNA)
where:
Base-Base interactions energy: -383.463
where: short stacking energy: -145.246
Base-Backbone interact. energy: -0.092
local terms energy: -152.796991
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -46.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -521.484112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.484112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.484112 (E_RNA)
where:
Base-Base interactions energy: -376.008
where: short stacking energy: -143.298
Base-Backbone interact. energy: -0.598
local terms energy: -145.119038
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -45.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -514.204273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.204273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.204273 (E_RNA)
where:
Base-Base interactions energy: -361.790
where: short stacking energy: -140.710
Base-Backbone interact. energy: -0.656
local terms energy: -151.899764
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -45.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.142 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -493.089005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.089005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.089005 (E_RNA)
where:
Base-Base interactions energy: -350.107
where: short stacking energy: -135.700
Base-Backbone interact. energy: -0.005
local terms energy: -143.645395
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.668 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -503.592169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.592169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.592169 (E_RNA)
where:
Base-Base interactions energy: -362.413
where: short stacking energy: -138.388
Base-Backbone interact. energy: -0.055
local terms energy: -141.124382
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -40.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -491.385197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.385197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.385197 (E_RNA)
where:
Base-Base interactions energy: -356.217
where: short stacking energy: -138.437
Base-Backbone interact. energy: -0.048
local terms energy: -135.120297
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -43.718
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: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -417.178937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.178937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.178937 (E_RNA)
where:
Base-Base interactions energy: -290.821
where: short stacking energy: -114.439
Base-Backbone interact. energy: -0.325
local terms energy: -126.033186
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -38.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -114.765309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.765309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.765309 (E_RNA)
where:
Base-Base interactions energy: -35.125
where: short stacking energy: -26.756
Base-Backbone interact. energy: -1.220
local terms energy: -78.419539
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -11.465
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: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -541.665053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.665053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.665053 (E_RNA)
where:
Base-Base interactions energy: -392.148
where: short stacking energy: -149.990
Base-Backbone interact. energy: -0.001
local terms energy: -149.842273
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.327 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -533.968292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.968292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.968292 (E_RNA)
where:
Base-Base interactions energy: -379.293
where: short stacking energy: -148.767
Base-Backbone interact. energy: -0.003
local terms energy: -154.672268
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -30.878
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -533.953777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.953777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.953777 (E_RNA)
where:
Base-Base interactions energy: -376.195
where: short stacking energy: -143.929
Base-Backbone interact. energy: -0.035
local terms energy: -157.723313
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -45.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -539.382698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.382698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.382698 (E_RNA)
where:
Base-Base interactions energy: -380.666
where: short stacking energy: -146.880
Base-Backbone interact. energy: -0.003
local terms energy: -159.313000
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -47.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.600 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -515.005138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.005138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.005138 (E_RNA)
where:
Base-Base interactions energy: -375.835
where: short stacking energy: -143.244
Base-Backbone interact. energy: -0.045
local terms energy: -139.125241
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -28.768
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -45.484
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: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -498.305709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.305709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.305709 (E_RNA)
where:
Base-Base interactions energy: -354.200
where: short stacking energy: -131.907
Base-Backbone interact. energy: -0.041
local terms energy: -144.064472
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -30.179
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -42.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -496.135604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.135604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.135604 (E_RNA)
where:
Base-Base interactions energy: -355.820
where: short stacking energy: -137.585
Base-Backbone interact. energy: -0.021
local terms energy: -140.294195
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -47.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -495.082872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.082872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.082872 (E_RNA)
where:
Base-Base interactions energy: -349.778
where: short stacking energy: -134.671
Base-Backbone interact. energy: -0.081
local terms energy: -145.223667
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -45.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -407.192852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.192852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.192852 (E_RNA)
where:
Base-Base interactions energy: -285.648
where: short stacking energy: -116.696
Base-Backbone interact. energy: -0.420
local terms energy: -121.124942
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -123.162124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.162124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.162124 (E_RNA)
where:
Base-Base interactions energy: -47.843
where: short stacking energy: -44.364
Base-Backbone interact. energy: 0.160
local terms energy: -77.668108
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.189 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -554.804624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.804624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.804624 (E_RNA)
where:
Base-Base interactions energy: -395.188
where: short stacking energy: -152.573
Base-Backbone interact. energy: -0.000
local terms energy: -160.071089
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -26.622
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.455 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -538.895752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.895752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.895752 (E_RNA)
where:
Base-Base interactions energy: -387.047
where: short stacking energy: -151.735
Base-Backbone interact. energy: -0.002
local terms energy: -152.154689
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -49.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.308 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -536.236123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.236123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.236123 (E_RNA)
where:
Base-Base interactions energy: -390.019
where: short stacking energy: -149.957
Base-Backbone interact. energy: -0.001
local terms energy: -146.215283
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: -44.129
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -529.954997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.954997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.954997 (E_RNA)
where:
Base-Base interactions energy: -368.203
where: short stacking energy: -138.728
Base-Backbone interact. energy: -0.161
local terms energy: -161.590825
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -46.155
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: 364
Temperature: 1.100000
Total energy: -515.681779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.681779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.681779 (E_RNA)
where:
Base-Base interactions energy: -381.613
where: short stacking energy: -147.801
Base-Backbone interact. energy: -0.001
local terms energy: -134.067926
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -42.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -510.694219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.694219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.694219 (E_RNA)
where:
Base-Base interactions energy: -363.091
where: short stacking energy: -139.890
Base-Backbone interact. energy: -0.087
local terms energy: -147.515919
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -43.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -500.045860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.045860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.045860 (E_RNA)
where:
Base-Base interactions energy: -349.462
where: short stacking energy: -139.767
Base-Backbone interact. energy: -0.010
local terms energy: -150.573725
where:
bonds (distance) C4'-P energy: -27.095
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -25.236
tors. eta vs tors. theta energy: -45.760
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: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -499.338336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.338336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.338336 (E_RNA)
where:
Base-Base interactions energy: -356.573
where: short stacking energy: -134.493
Base-Backbone interact. energy: -0.001
local terms energy: -142.763724
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -45.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -418.652066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.652066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.652066 (E_RNA)
where:
Base-Base interactions energy: -297.449
where: short stacking energy: -121.553
Base-Backbone interact. energy: 0.373
local terms energy: -121.576288
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -28.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -117.974408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.974408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.974408 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.436
local terms energy: -86.998381
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -551.519154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.519154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.519154 (E_RNA)
where:
Base-Base interactions energy: -393.046
where: short stacking energy: -153.376
Base-Backbone interact. energy: -0.003
local terms energy: -158.911052
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -47.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.441 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -543.177769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.177769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.177769 (E_RNA)
where:
Base-Base interactions energy: -386.585
where: short stacking energy: -153.270
Base-Backbone interact. energy: -0.000
local terms energy: -156.592289
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -47.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -537.252077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.252077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.252077 (E_RNA)
where:
Base-Base interactions energy: -379.081
where: short stacking energy: -144.547
Base-Backbone interact. energy: -0.008
local terms energy: -158.329876
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -47.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -513.825428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.825428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.825428 (E_RNA)
where:
Base-Base interactions energy: -361.267
where: short stacking energy: -143.959
Base-Backbone interact. energy: -0.003
local terms energy: -152.555450
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -45.862
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -522.512991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.512991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.512991 (E_RNA)
where:
Base-Base interactions energy: -379.967
where: short stacking energy: -147.845
Base-Backbone interact. energy: -0.004
local terms energy: -142.541156
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -44.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -503.003336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.003336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.003336 (E_RNA)
where:
Base-Base interactions energy: -367.897
where: short stacking energy: -143.009
Base-Backbone interact. energy: -0.023
local terms energy: -135.083352
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -46.797
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: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -492.133702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.133702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.133702 (E_RNA)
where:
Base-Base interactions energy: -351.988
where: short stacking energy: -138.673
Base-Backbone interact. energy: -0.183
local terms energy: -139.962617
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -46.961
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: 365
Temperature: 1.250000
Total energy: -483.327539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.327539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.327539 (E_RNA)
where:
Base-Base interactions energy: -357.721
where: short stacking energy: -134.629
Base-Backbone interact. energy: -0.214
local terms energy: -125.392713
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -39.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -417.260675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.260675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.260675 (E_RNA)
where:
Base-Base interactions energy: -289.171
where: short stacking energy: -110.093
Base-Backbone interact. energy: 0.020
local terms energy: -128.109948
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -28.291
flat angles C4'-P-C4' energy: -28.505
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -32.635
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: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -126.139114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.139114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.139114 (E_RNA)
where:
Base-Base interactions energy: -46.739
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.900
local terms energy: -78.499414
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -548.698677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.698677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.698677 (E_RNA)
where:
Base-Base interactions energy: -392.678
where: short stacking energy: -151.638
Base-Backbone interact. energy: -0.001
local terms energy: -156.019068
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -47.508
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: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -543.056697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.056697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.056697 (E_RNA)
where:
Base-Base interactions energy: -380.379
where: short stacking energy: -149.790
Base-Backbone interact. energy: -0.044
local terms energy: -162.634155
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -46.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -530.085692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.085692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.085692 (E_RNA)
where:
Base-Base interactions energy: -383.266
where: short stacking energy: -150.032
Base-Backbone interact. energy: -0.007
local terms energy: -146.930120
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -44.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -512.916415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.916415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.916415 (E_RNA)
where:
Base-Base interactions energy: -374.361
where: short stacking energy: -142.239
Base-Backbone interact. energy: -0.023
local terms energy: -138.531996
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -44.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -517.123012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.123012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.123012 (E_RNA)
where:
Base-Base interactions energy: -376.089
where: short stacking energy: -142.981
Base-Backbone interact. energy: -0.003
local terms energy: -141.031132
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -46.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -495.267543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.267543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.267543 (E_RNA)
where:
Base-Base interactions energy: -353.609
where: short stacking energy: -139.302
Base-Backbone interact. energy: -0.098
local terms energy: -141.560057
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -27.375
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -46.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -489.849458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.849458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.849458 (E_RNA)
where:
Base-Base interactions energy: -358.249
where: short stacking energy: -142.724
Base-Backbone interact. energy: -0.002
local terms energy: -131.599153
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -43.415
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: 366
Temperature: 1.250000
Total energy: -475.456325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.456325 (E_RNA)
where:
Base-Base interactions energy: -357.552
where: short stacking energy: -141.523
Base-Backbone interact. energy: -0.559
local terms energy: -117.344804
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -39.488
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: 366
Temperature: 1.300000
Total energy: -420.473474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.473474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.473474 (E_RNA)
where:
Base-Base interactions energy: -295.438
where: short stacking energy: -120.820
Base-Backbone interact. energy: -0.037
local terms energy: -124.997995
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -34.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -114.228883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.228883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.228883 (E_RNA)
where:
Base-Base interactions energy: -40.475
where: short stacking energy: -32.775
Base-Backbone interact. energy: -1.093
local terms energy: -72.753093
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: 1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.092 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -539.932191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.932191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.932191 (E_RNA)
where:
Base-Base interactions energy: -380.104
where: short stacking energy: -146.221
Base-Backbone interact. energy: -0.002
local terms energy: -160.520634
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -46.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.694 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -537.552286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.552286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.552286 (E_RNA)
where:
Base-Base interactions energy: -376.051
where: short stacking energy: -140.244
Base-Backbone interact. energy: -0.239
local terms energy: -161.261615
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -45.309
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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -529.908832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.908832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.908832 (E_RNA)
where:
Base-Base interactions energy: -376.840
where: short stacking energy: -141.713
Base-Backbone interact. energy: 0.102
local terms energy: -153.170435
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -47.752
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: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -512.317376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.317376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.317376 (E_RNA)
where:
Base-Base interactions energy: -368.909
where: short stacking energy: -139.247
Base-Backbone interact. energy: -0.002
local terms energy: -143.406228
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -43.353
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: 367
Temperature: 1.100000
Total energy: -529.075907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.075907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.075907 (E_RNA)
where:
Base-Base interactions energy: -376.730
where: short stacking energy: -146.205
Base-Backbone interact. energy: -0.001
local terms energy: -152.345482
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -503.224731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.224731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.224731 (E_RNA)
where:
Base-Base interactions energy: -353.324
where: short stacking energy: -134.374
Base-Backbone interact. energy: -0.004
local terms energy: -149.897250
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -45.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -493.027852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.027852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.027852 (E_RNA)
where:
Base-Base interactions energy: -355.095
where: short stacking energy: -138.015
Base-Backbone interact. energy: 1.348
local terms energy: -139.280857
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -43.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -474.267041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.267041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.267041 (E_RNA)
where:
Base-Base interactions energy: -343.575
where: short stacking energy: -134.783
Base-Backbone interact. energy: -0.070
local terms energy: -130.676133
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -414.411649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.411649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.411649 (E_RNA)
where:
Base-Base interactions energy: -302.093
where: short stacking energy: -116.833
Base-Backbone interact. energy: -0.571
local terms energy: -111.748242
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -38.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -123.288504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.288504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.288504 (E_RNA)
where:
Base-Base interactions energy: -37.595
where: short stacking energy: -24.739
Base-Backbone interact. energy: -1.248
local terms energy: -84.445335
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -13.114
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: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -540.777706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.777706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.777706 (E_RNA)
where:
Base-Base interactions energy: -384.959
where: short stacking energy: -146.678
Base-Backbone interact. energy: -0.013
local terms energy: -156.645657
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -31.191
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -44.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.840 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -542.580549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.580549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.580549 (E_RNA)
where:
Base-Base interactions energy: -380.213
where: short stacking energy: -146.132
Base-Backbone interact. energy: -0.413
local terms energy: -161.954645
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -44.103
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: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -532.689358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.689358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.689358 (E_RNA)
where:
Base-Base interactions energy: -383.339
where: short stacking energy: -148.373
Base-Backbone interact. energy: -0.001
local terms energy: -149.350054
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -31.685
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -46.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -523.950660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.950660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.950660 (E_RNA)
where:
Base-Base interactions energy: -369.642
where: short stacking energy: -135.131
Base-Backbone interact. energy: -0.001
local terms energy: -154.307392
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -29.280
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -46.549
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: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -508.231204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.231204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.231204 (E_RNA)
where:
Base-Base interactions energy: -370.202
where: short stacking energy: -134.315
Base-Backbone interact. energy: -0.004
local terms energy: -138.024893
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -44.131
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: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -505.145554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.145554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.145554 (E_RNA)
where:
Base-Base interactions energy: -362.045
where: short stacking energy: -136.522
Base-Backbone interact. energy: -0.043
local terms energy: -143.057232
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -46.759
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: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -493.544927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.544927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.544927 (E_RNA)
where:
Base-Base interactions energy: -360.286
where: short stacking energy: -141.740
Base-Backbone interact. energy: -0.072
local terms energy: -133.186461
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -29.588
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -42.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -478.342730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.342730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.342730 (E_RNA)
where:
Base-Base interactions energy: -340.086
where: short stacking energy: -133.542
Base-Backbone interact. energy: -0.155
local terms energy: -138.102482
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -41.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -436.019564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.019564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.019564 (E_RNA)
where:
Base-Base interactions energy: -305.582
where: short stacking energy: -115.688
Base-Backbone interact. energy: -0.132
local terms energy: -130.306305
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -120.706210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.706210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.706210 (E_RNA)
where:
Base-Base interactions energy: -51.709
where: short stacking energy: -29.805
Base-Backbone interact. energy: 3.128
local terms energy: -72.125249
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: 2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -544.218906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.218906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.218906 (E_RNA)
where:
Base-Base interactions energy: -387.912
where: short stacking energy: -152.155
Base-Backbone interact. energy: -0.042
local terms energy: -156.265241
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -47.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -539.575873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.575873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.575873 (E_RNA)
where:
Base-Base interactions energy: -386.636
where: short stacking energy: -151.727
Base-Backbone interact. energy: -0.009
local terms energy: -153.391137
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -23.485
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -46.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.460 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -525.881624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.881624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.881624 (E_RNA)
where:
Base-Base interactions energy: -382.952
where: short stacking energy: -145.598
Base-Backbone interact. energy: 1.206
local terms energy: -144.136020
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -31.837
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -47.881
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: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -524.705834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.705834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.705834 (E_RNA)
where:
Base-Base interactions energy: -377.427
where: short stacking energy: -143.638
Base-Backbone interact. energy: -0.005
local terms energy: -147.518140
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -45.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -520.778423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.778423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.778423 (E_RNA)
where:
Base-Base interactions energy: -366.965
where: short stacking energy: -142.278
Base-Backbone interact. energy: -0.201
local terms energy: -155.181265
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -30.563
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -45.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.568 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -515.023413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.023413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.023413 (E_RNA)
where:
Base-Base interactions energy: -367.037
where: short stacking energy: -141.731
Base-Backbone interact. energy: -1.030
local terms energy: -146.955927
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -43.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -489.675731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.675731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.675731 (E_RNA)
where:
Base-Base interactions energy: -348.066
where: short stacking energy: -132.354
Base-Backbone interact. energy: 1.504
local terms energy: -143.113793
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -19.583
tors. eta vs tors. theta energy: -40.196
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: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -422.797167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.797167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.797167 (E_RNA)
where:
Base-Base interactions energy: -293.347
where: short stacking energy: -113.267
Base-Backbone interact. energy: -0.071
local terms energy: -129.378968
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -31.070
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -35.918
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: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -412.984656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.984656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.984656 (E_RNA)
where:
Base-Base interactions energy: -300.348
where: short stacking energy: -129.163
Base-Backbone interact. energy: -0.952
local terms energy: -111.684560
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -38.045
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: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -131.689285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.689285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.689285 (E_RNA)
where:
Base-Base interactions energy: -56.762
where: short stacking energy: -32.273
Base-Backbone interact. energy: 0.132
local terms energy: -78.231952
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -9.037
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: 3.173 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -547.006422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.006422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.006422 (E_RNA)
where:
Base-Base interactions energy: -396.851
where: short stacking energy: -153.506
Base-Backbone interact. energy: -0.168
local terms energy: -151.150105
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -25.916
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -24.770
tors. eta vs tors. theta energy: -47.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.162 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -548.913307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.913307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.913307 (E_RNA)
where:
Base-Base interactions energy: -394.314
where: short stacking energy: -153.034
Base-Backbone interact. energy: -0.002
local terms energy: -154.596996
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -23.250
tors. eta vs tors. theta energy: -44.592
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: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -542.016007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.016007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.016007 (E_RNA)
where:
Base-Base interactions energy: -384.481
where: short stacking energy: -147.359
Base-Backbone interact. energy: -0.158
local terms energy: -157.554012
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -47.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.177 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -522.931122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.931122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.931122 (E_RNA)
where:
Base-Base interactions energy: -375.154
where: short stacking energy: -147.695
Base-Backbone interact. energy: -0.124
local terms energy: -147.703325
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -29.167
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.050 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -522.264885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.264885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.264885 (E_RNA)
where:
Base-Base interactions energy: -376.045
where: short stacking energy: -141.655
Base-Backbone interact. energy: -0.161
local terms energy: -146.498384
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -47.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.440 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -511.620665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.620665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.620665 (E_RNA)
where:
Base-Base interactions energy: -370.116
where: short stacking energy: -145.548
Base-Backbone interact. energy: -0.183
local terms energy: -141.321832
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -43.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -505.452713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.452713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.452713 (E_RNA)
where:
Base-Base interactions energy: -358.214
where: short stacking energy: -140.290
Base-Backbone interact. energy: -0.031
local terms energy: -148.739525
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -26.404
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -44.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.532 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -446.304204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.304204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.304204 (E_RNA)
where:
Base-Base interactions energy: -322.032
where: short stacking energy: -126.470
Base-Backbone interact. energy: -0.325
local terms energy: -123.947554
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -36.422
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: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -408.702557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.702557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.702557 (E_RNA)
where:
Base-Base interactions energy: -293.970
where: short stacking energy: -118.418
Base-Backbone interact. energy: -0.393
local terms energy: -114.339309
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -32.769
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: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -107.407304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.407304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.407304 (E_RNA)
where:
Base-Base interactions energy: -38.143
where: short stacking energy: -31.206
Base-Backbone interact. energy: 0.182
local terms energy: -69.524062
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: 6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.077 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -544.108685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.108685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.108685 (E_RNA)
where:
Base-Base interactions energy: -387.328
where: short stacking energy: -148.700
Base-Backbone interact. energy: 0.132
local terms energy: -156.913116
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -48.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -549.575160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.575160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.575160 (E_RNA)
where:
Base-Base interactions energy: -392.076
where: short stacking energy: -145.174
Base-Backbone interact. energy: -0.173
local terms energy: -157.326159
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -29.709
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -46.887
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: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -540.132368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.132368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.132368 (E_RNA)
where:
Base-Base interactions energy: -384.764
where: short stacking energy: -153.682
Base-Backbone interact. energy: -0.577
local terms energy: -154.791352
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -48.558
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: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -527.024350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.024350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.024350 (E_RNA)
where:
Base-Base interactions energy: -373.573
where: short stacking energy: -139.619
Base-Backbone interact. energy: -0.021
local terms energy: -153.485097
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -46.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -509.439329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.439329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.439329 (E_RNA)
where:
Base-Base interactions energy: -359.844
where: short stacking energy: -130.048
Base-Backbone interact. energy: -0.012
local terms energy: -149.720160
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -26.784
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -45.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.138 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -510.392483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.392483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.392483 (E_RNA)
where:
Base-Base interactions energy: -353.547
where: short stacking energy: -136.833
Base-Backbone interact. energy: -0.158
local terms energy: -157.598209
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -45.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.911 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -490.125321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.125321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.125321 (E_RNA)
where:
Base-Base interactions energy: -353.817
where: short stacking energy: -136.434
Base-Backbone interact. energy: 0.679
local terms energy: -136.987148
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -41.902
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: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -424.126337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.126337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.126337 (E_RNA)
where:
Base-Base interactions energy: -302.524
where: short stacking energy: -119.674
Base-Backbone interact. energy: -0.001
local terms energy: -123.134713
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -29.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.533 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -414.163394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.163394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.163394 (E_RNA)
where:
Base-Base interactions energy: -294.751
where: short stacking energy: -115.905
Base-Backbone interact. energy: 0.006
local terms energy: -119.418747
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -26.864
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -33.306
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: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -126.026476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.026476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.026476 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -36.248
Base-Backbone interact. energy: -0.282
local terms energy: -88.061949
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -21.549
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: 372
Temperature: 0.900000
Total energy: -551.463491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.463491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.463491 (E_RNA)
where:
Base-Base interactions energy: -388.376
where: short stacking energy: -148.527
Base-Backbone interact. energy: -0.003
local terms energy: -163.085450
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -47.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -546.992824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.992824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.992824 (E_RNA)
where:
Base-Base interactions energy: -393.460
where: short stacking energy: -150.591
Base-Backbone interact. energy: -0.001
local terms energy: -154.000562
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -47.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.468 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -534.450905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.450905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.450905 (E_RNA)
where:
Base-Base interactions energy: -373.022
where: short stacking energy: -139.707
Base-Backbone interact. energy: -0.151
local terms energy: -161.278295
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -46.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -523.926795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.926795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.926795 (E_RNA)
where:
Base-Base interactions energy: -376.199
where: short stacking energy: -145.295
Base-Backbone interact. energy: -0.004
local terms energy: -147.723465
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -26.312
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -46.048
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: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -511.760259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.760259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.760259 (E_RNA)
where:
Base-Base interactions energy: -371.465
where: short stacking energy: -144.559
Base-Backbone interact. energy: -0.032
local terms energy: -141.125383
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -46.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.862 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -529.380244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.380244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.380244 (E_RNA)
where:
Base-Base interactions energy: -382.979
where: short stacking energy: -153.363
Base-Backbone interact. energy: -0.004
local terms energy: -146.858555
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -50.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.461 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -496.986023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.986023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.986023 (E_RNA)
where:
Base-Base interactions energy: -353.224
where: short stacking energy: -133.855
Base-Backbone interact. energy: -0.030
local terms energy: -143.732329
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -43.174
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: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -425.974078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.974078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.974078 (E_RNA)
where:
Base-Base interactions energy: -292.051
where: short stacking energy: -116.931
Base-Backbone interact. energy: -0.229
local terms energy: -133.797205
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -30.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -430.968672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.968672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.968672 (E_RNA)
where:
Base-Base interactions energy: -310.432
where: short stacking energy: -122.907
Base-Backbone interact. energy: -0.008
local terms energy: -120.529376
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -36.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -108.613097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.613097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.613097 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -25.550
Base-Backbone interact. energy: 1.154
local terms energy: -75.155291
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: 10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -548.407970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.407970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.407970 (E_RNA)
where:
Base-Base interactions energy: -389.551
where: short stacking energy: -145.990
Base-Backbone interact. energy: -0.000
local terms energy: -159.399388
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -30.507
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -26.621
tors. eta vs tors. theta energy: -43.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.543 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -546.106518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.106518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.106518 (E_RNA)
where:
Base-Base interactions energy: -390.940
where: short stacking energy: -154.592
Base-Backbone interact. energy: -0.043
local terms energy: -155.123417
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -33.265
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -45.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -546.837606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.837606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.837606 (E_RNA)
where:
Base-Base interactions energy: -388.802
where: short stacking energy: -150.240
Base-Backbone interact. energy: -0.001
local terms energy: -158.868210
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -48.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.833 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -524.889783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.889783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.889783 (E_RNA)
where:
Base-Base interactions energy: -378.955
where: short stacking energy: -145.139
Base-Backbone interact. energy: -0.012
local terms energy: -145.922399
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -25.657
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -42.978
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: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -517.875866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.875866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.875866 (E_RNA)
where:
Base-Base interactions energy: -375.074
where: short stacking energy: -148.457
Base-Backbone interact. energy: -0.014
local terms energy: -145.105107
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -33.437
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -47.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.317 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -497.226644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.226644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.226644 (E_RNA)
where:
Base-Base interactions energy: -356.354
where: short stacking energy: -135.252
Base-Backbone interact. energy: 0.790
local terms energy: -141.662296
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -44.184
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: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -489.103971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.103971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.103971 (E_RNA)
where:
Base-Base interactions energy: -351.152
where: short stacking energy: -135.253
Base-Backbone interact. energy: -0.011
local terms energy: -137.940378
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -25.968
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -40.411
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: 373
Temperature: 1.250000
Total energy: -437.943803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.943803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.943803 (E_RNA)
where:
Base-Base interactions energy: -308.801
where: short stacking energy: -115.796
Base-Backbone interact. energy: -0.010
local terms energy: -129.132732
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -30.848
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: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -426.891326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.891326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.891326 (E_RNA)
where:
Base-Base interactions energy: -312.289
where: short stacking energy: -117.367
Base-Backbone interact. energy: -0.267
local terms energy: -114.334821
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -37.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -127.505709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.505709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.505709 (E_RNA)
where:
Base-Base interactions energy: -49.353
where: short stacking energy: -39.813
Base-Backbone interact. energy: 1.130
local terms energy: -79.282374
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -21.088
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: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -549.724405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.724405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.724405 (E_RNA)
where:
Base-Base interactions energy: -391.156
where: short stacking energy: -156.416
Base-Backbone interact. energy: 0.117
local terms energy: -158.685622
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -48.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -549.049451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.049451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.049451 (E_RNA)
where:
Base-Base interactions energy: -389.930
where: short stacking energy: -153.097
Base-Backbone interact. energy: -0.002
local terms energy: -159.117338
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -35.662
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -47.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -540.747870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.747870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.747870 (E_RNA)
where:
Base-Base interactions energy: -386.020
where: short stacking energy: -146.438
Base-Backbone interact. energy: -0.212
local terms energy: -154.516125
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -27.895
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -49.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -526.452455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.452455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.452455 (E_RNA)
where:
Base-Base interactions energy: -381.959
where: short stacking energy: -146.715
Base-Backbone interact. energy: -0.001
local terms energy: -144.492838
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -28.257
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -46.426
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: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -516.679179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.679179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.679179 (E_RNA)
where:
Base-Base interactions energy: -363.827
where: short stacking energy: -139.133
Base-Backbone interact. energy: -0.003
local terms energy: -153.248892
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -26.784
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -47.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.399 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -500.888050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.888050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.888050 (E_RNA)
where:
Base-Base interactions energy: -370.549
where: short stacking energy: -143.863
Base-Backbone interact. energy: -0.074
local terms energy: -130.902725
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -43.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.637 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -449.181266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.181266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.181266 (E_RNA)
where:
Base-Base interactions energy: -321.546
where: short stacking energy: -131.225
Base-Backbone interact. energy: 0.087
local terms energy: -127.722937
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -39.178
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: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -464.679713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.679713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.679713 (E_RNA)
where:
Base-Base interactions energy: -330.480
where: short stacking energy: -128.419
Base-Backbone interact. energy: -0.053
local terms energy: -134.147258
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -37.707
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: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -423.750495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.750495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.750495 (E_RNA)
where:
Base-Base interactions energy: -295.481
where: short stacking energy: -113.737
Base-Backbone interact. energy: -0.429
local terms energy: -127.839919
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -32.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -126.791871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.791871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.791871 (E_RNA)
where:
Base-Base interactions energy: -46.755
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.646
local terms energy: -79.390072
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: 0.035
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: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -544.298333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.298333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.298333 (E_RNA)
where:
Base-Base interactions energy: -388.267
where: short stacking energy: -147.637
Base-Backbone interact. energy: -0.001
local terms energy: -156.030339
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -30.806
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -45.206
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: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -537.263861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.263861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.263861 (E_RNA)
where:
Base-Base interactions energy: -387.212
where: short stacking energy: -152.694
Base-Backbone interact. energy: -1.110
local terms energy: -148.942579
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -45.849
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: 375
Temperature: 1.000000
Total energy: -530.903270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.903270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.903270 (E_RNA)
where:
Base-Base interactions energy: -374.666
where: short stacking energy: -147.012
Base-Backbone interact. energy: -0.004
local terms energy: -156.822987
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: -46.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.590 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -528.863748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.863748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.863748 (E_RNA)
where:
Base-Base interactions energy: -378.408
where: short stacking energy: -152.020
Base-Backbone interact. energy: -0.002
local terms energy: -151.365722
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -46.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.912 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -527.823120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.823120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.823120 (E_RNA)
where:
Base-Base interactions energy: -374.203
where: short stacking energy: -148.714
Base-Backbone interact. energy: -0.001
local terms energy: -153.619701
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -47.580
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: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -503.105027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.105027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.105027 (E_RNA)
where:
Base-Base interactions energy: -361.217
where: short stacking energy: -136.430
Base-Backbone interact. energy: -0.030
local terms energy: -141.857994
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -42.888
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: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -417.714078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.714078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.714078 (E_RNA)
where:
Base-Base interactions energy: -286.796
where: short stacking energy: -111.286
Base-Backbone interact. energy: 0.787
local terms energy: -133.124362
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -33.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.420 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -482.955714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.955714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.955714 (E_RNA)
where:
Base-Base interactions energy: -347.950
where: short stacking energy: -126.508
Base-Backbone interact. energy: -0.085
local terms energy: -134.920794
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -37.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -398.974166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.974166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.974166 (E_RNA)
where:
Base-Base interactions energy: -274.329
where: short stacking energy: -103.591
Base-Backbone interact. energy: -0.058
local terms energy: -124.587341
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -30.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -109.485502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.485502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.485502 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.538
local terms energy: -69.743990
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: 5.274
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: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -544.451289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.451289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.451289 (E_RNA)
where:
Base-Base interactions energy: -390.684
where: short stacking energy: -151.493
Base-Backbone interact. energy: -0.127
local terms energy: -153.640803
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -43.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -545.058511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.058511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.058511 (E_RNA)
where:
Base-Base interactions energy: -392.762
where: short stacking energy: -152.982
Base-Backbone interact. energy: -0.573
local terms energy: -151.757781
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -49.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -529.121748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.121748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.121748 (E_RNA)
where:
Base-Base interactions energy: -381.540
where: short stacking energy: -148.034
Base-Backbone interact. energy: -0.291
local terms energy: -147.291064
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -44.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -524.398825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.398825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.398825 (E_RNA)
where:
Base-Base interactions energy: -383.850
where: short stacking energy: -147.220
Base-Backbone interact. energy: -0.125
local terms energy: -140.423480
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -30.494
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -43.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -524.040346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.040346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.040346 (E_RNA)
where:
Base-Base interactions energy: -378.766
where: short stacking energy: -145.880
Base-Backbone interact. energy: -0.109
local terms energy: -145.165380
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -43.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -520.885025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.885025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.885025 (E_RNA)
where:
Base-Base interactions energy: -373.796
where: short stacking energy: -144.303
Base-Backbone interact. energy: -0.003
local terms energy: -149.568260
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -45.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.482 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -503.677453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.677453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.677453 (E_RNA)
where:
Base-Base interactions energy: -366.282
where: short stacking energy: -140.229
Base-Backbone interact. energy: -0.063
local terms energy: -137.333294
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -40.510
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: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -421.970158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.970158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.970158 (E_RNA)
where:
Base-Base interactions energy: -296.785
where: short stacking energy: -111.510
Base-Backbone interact. energy: -0.209
local terms energy: -124.976496
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -32.454
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: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -409.132513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.132513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.132513 (E_RNA)
where:
Base-Base interactions energy: -290.548
where: short stacking energy: -116.246
Base-Backbone interact. energy: -0.159
local terms energy: -118.425746
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -27.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -124.571601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.571601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.571601 (E_RNA)
where:
Base-Base interactions energy: -54.594
where: short stacking energy: -37.852
Base-Backbone interact. energy: -0.625
local terms energy: -69.352825
where:
bonds (distance) C4'-P energy: -25.542
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -541.311431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.311431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.311431 (E_RNA)
where:
Base-Base interactions energy: -386.034
where: short stacking energy: -151.674
Base-Backbone interact. energy: -0.003
local terms energy: -155.274222
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -48.515
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: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -540.420901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.420901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.420901 (E_RNA)
where:
Base-Base interactions energy: -384.963
where: short stacking energy: -146.019
Base-Backbone interact. energy: -0.002
local terms energy: -155.456220
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -45.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -535.960649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.960649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.960649 (E_RNA)
where:
Base-Base interactions energy: -384.745
where: short stacking energy: -146.487
Base-Backbone interact. energy: -0.001
local terms energy: -152.308198
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -45.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.094 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -532.339968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.339968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.339968 (E_RNA)
where:
Base-Base interactions energy: -378.439
where: short stacking energy: -147.511
Base-Backbone interact. energy: -0.002
local terms energy: -153.898482
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -27.954
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -46.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -526.832492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.832492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.832492 (E_RNA)
where:
Base-Base interactions energy: -385.864
where: short stacking energy: -145.007
Base-Backbone interact. energy: -0.002
local terms energy: -140.966948
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -45.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -504.190009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.190009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.190009 (E_RNA)
where:
Base-Base interactions energy: -367.909
where: short stacking energy: -138.933
Base-Backbone interact. energy: -0.136
local terms energy: -136.145282
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -41.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -496.398652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.398652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.398652 (E_RNA)
where:
Base-Base interactions energy: -356.690
where: short stacking energy: -138.068
Base-Backbone interact. energy: -0.053
local terms energy: -139.655552
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -29.515
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -43.234
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: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -448.839106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.839106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.839106 (E_RNA)
where:
Base-Base interactions energy: -317.170
where: short stacking energy: -116.223
Base-Backbone interact. energy: -0.239
local terms energy: -131.430640
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -34.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -381.001770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.001770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.001770 (E_RNA)
where:
Base-Base interactions energy: -256.159
where: short stacking energy: -99.064
Base-Backbone interact. energy: -0.007
local terms energy: -124.835608
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -28.559
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: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -128.489257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.489257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.489257 (E_RNA)
where:
Base-Base interactions energy: -53.855
where: short stacking energy: -25.618
Base-Backbone interact. energy: 2.487
local terms energy: -78.873375
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: 4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.752 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -552.517836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.517836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.517836 (E_RNA)
where:
Base-Base interactions energy: -389.418
where: short stacking energy: -150.422
Base-Backbone interact. energy: -0.002
local terms energy: -163.300696
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -27.553
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -45.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.203 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -539.990585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.990585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.990585 (E_RNA)
where:
Base-Base interactions energy: -378.823
where: short stacking energy: -146.184
Base-Backbone interact. energy: -0.001
local terms energy: -161.167111
where:
bonds (distance) C4'-P energy: -29.111
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -47.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -533.838988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.838988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.838988 (E_RNA)
where:
Base-Base interactions energy: -382.471
where: short stacking energy: -146.213
Base-Backbone interact. energy: -0.089
local terms energy: -151.278729
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -46.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -520.385318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.385318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.385318 (E_RNA)
where:
Base-Base interactions energy: -372.386
where: short stacking energy: -138.648
Base-Backbone interact. energy: -0.002
local terms energy: -148.610568
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -45.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.613 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -518.398033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.398033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.398033 (E_RNA)
where:
Base-Base interactions energy: -384.420
where: short stacking energy: -148.225
Base-Backbone interact. energy: -0.003
local terms energy: -133.975715
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -43.269
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: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -493.140045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.140045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.140045 (E_RNA)
where:
Base-Base interactions energy: -350.392
where: short stacking energy: -132.460
Base-Backbone interact. energy: -0.001
local terms energy: -143.035512
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -41.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.288 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -499.648378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.648378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.648378 (E_RNA)
where:
Base-Base interactions energy: -360.955
where: short stacking energy: -141.469
Base-Backbone interact. energy: -0.052
local terms energy: -138.640923
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -45.463
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: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -435.830142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.830142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.830142 (E_RNA)
where:
Base-Base interactions energy: -305.899
where: short stacking energy: -118.381
Base-Backbone interact. energy: -1.356
local terms energy: -128.575589
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -34.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -363.666966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.666966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.666966 (E_RNA)
where:
Base-Base interactions energy: -253.173
where: short stacking energy: -102.855
Base-Backbone interact. energy: -1.341
local terms energy: -109.152578
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -28.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -120.024095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.024095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.024095 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -30.005
Base-Backbone interact. energy: 0.425
local terms energy: -79.148196
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -2.352
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: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -551.977281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.977281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.977281 (E_RNA)
where:
Base-Base interactions energy: -398.266
where: short stacking energy: -156.179
Base-Backbone interact. energy: -0.676
local terms energy: -153.403591
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -26.458
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -49.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.368 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -545.522096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.522096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.522096 (E_RNA)
where:
Base-Base interactions energy: -392.166
where: short stacking energy: -153.983
Base-Backbone interact. energy: -0.042
local terms energy: -153.314387
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -48.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -538.451990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.451990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.451990 (E_RNA)
where:
Base-Base interactions energy: -383.012
where: short stacking energy: -150.311
Base-Backbone interact. energy: -0.001
local terms energy: -155.439668
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -46.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -525.014377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.014377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.014377 (E_RNA)
where:
Base-Base interactions energy: -376.348
where: short stacking energy: -149.561
Base-Backbone interact. energy: -0.012
local terms energy: -148.653781
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -44.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -515.949187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.949187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.949187 (E_RNA)
where:
Base-Base interactions energy: -371.136
where: short stacking energy: -145.969
Base-Backbone interact. energy: -0.002
local terms energy: -144.810797
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -46.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -499.372282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.372282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.372282 (E_RNA)
where:
Base-Base interactions energy: -359.589
where: short stacking energy: -143.292
Base-Backbone interact. energy: -0.001
local terms energy: -141.011444
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.229 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -511.279177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.279177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.279177 (E_RNA)
where:
Base-Base interactions energy: -366.927
where: short stacking energy: -138.456
Base-Backbone interact. energy: -0.113
local terms energy: -144.239243
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -46.634
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: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -444.534428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.534428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.534428 (E_RNA)
where:
Base-Base interactions energy: -316.184
where: short stacking energy: -116.947
Base-Backbone interact. energy: 0.205
local terms energy: -128.555884
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -39.675
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: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -375.973160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.973160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.973160 (E_RNA)
where:
Base-Base interactions energy: -257.180
where: short stacking energy: -107.709
Base-Backbone interact. energy: -0.418
local terms energy: -118.375936
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -28.559
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: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -153.781373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.781373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.781373 (E_RNA)
where:
Base-Base interactions energy: -85.936
where: short stacking energy: -43.261
Base-Backbone interact. energy: -2.201
local terms energy: -65.645018
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: 10.638
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: 380
Temperature: 0.900000
Total energy: -558.560877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.560877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.560877 (E_RNA)
where:
Base-Base interactions energy: -403.471
where: short stacking energy: -161.982
Base-Backbone interact. energy: -0.001
local terms energy: -155.089414
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: -47.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -542.791369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.791369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.791369 (E_RNA)
where:
Base-Base interactions energy: -394.981
where: short stacking energy: -150.719
Base-Backbone interact. energy: -0.003
local terms energy: -150.193806
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -46.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.386 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -534.317629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.317629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.317629 (E_RNA)
where:
Base-Base interactions energy: -380.315
where: short stacking energy: -146.234
Base-Backbone interact. energy: -0.010
local terms energy: -153.993481
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -47.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -535.601073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.601073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.601073 (E_RNA)
where:
Base-Base interactions energy: -381.572
where: short stacking energy: -145.292
Base-Backbone interact. energy: -0.191
local terms energy: -153.837515
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -46.943
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: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -509.386831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.386831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.386831 (E_RNA)
where:
Base-Base interactions energy: -371.059
where: short stacking energy: -141.397
Base-Backbone interact. energy: -0.018
local terms energy: -139.535031
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -45.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.225 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -518.036369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.036369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.036369 (E_RNA)
where:
Base-Base interactions energy: -369.453
where: short stacking energy: -141.585
Base-Backbone interact. energy: -0.022
local terms energy: -148.561624
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -46.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -505.332824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.332824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.332824 (E_RNA)
where:
Base-Base interactions energy: -368.212
where: short stacking energy: -140.142
Base-Backbone interact. energy: -0.305
local terms energy: -136.816196
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -47.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -435.343206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.343206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.343206 (E_RNA)
where:
Base-Base interactions energy: -306.234
where: short stacking energy: -113.089
Base-Backbone interact. energy: 2.782
local terms energy: -134.346890
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -37.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.456 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -361.191728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.191728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.191728 (E_RNA)
where:
Base-Base interactions energy: -241.899
where: short stacking energy: -100.106
Base-Backbone interact. energy: -0.167
local terms energy: -119.125744
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -29.915
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -163.338218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.338218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.338218 (E_RNA)
where:
Base-Base interactions energy: -97.345
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.449
local terms energy: -65.543997
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -4.174
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: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -550.199657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.199657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.199657 (E_RNA)
where:
Base-Base interactions energy: -391.712
where: short stacking energy: -151.496
Base-Backbone interact. energy: -0.002
local terms energy: -158.485364
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -47.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -541.278123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.278123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.278123 (E_RNA)
where:
Base-Base interactions energy: -380.618
where: short stacking energy: -147.875
Base-Backbone interact. energy: -0.239
local terms energy: -160.449423
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -24.214
tors. eta vs tors. theta energy: -46.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -530.883637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.883637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.883637 (E_RNA)
where:
Base-Base interactions energy: -376.845
where: short stacking energy: -140.071
Base-Backbone interact. energy: -0.001
local terms energy: -154.260065
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -23.740
tors. eta vs tors. theta energy: -42.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.223 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -519.175604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.175604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.175604 (E_RNA)
where:
Base-Base interactions energy: -377.706
where: short stacking energy: -145.072
Base-Backbone interact. energy: 0.085
local terms energy: -141.735804
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -31.976
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -45.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.182 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -511.236694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.236694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.236694 (E_RNA)
where:
Base-Base interactions energy: -366.063
where: short stacking energy: -141.457
Base-Backbone interact. energy: 0.353
local terms energy: -145.526779
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -43.930
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -493.162783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.162783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.162783 (E_RNA)
where:
Base-Base interactions energy: -357.333
where: short stacking energy: -138.224
Base-Backbone interact. energy: -0.469
local terms energy: -135.360471
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -44.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -482.970467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.970467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.970467 (E_RNA)
where:
Base-Base interactions energy: -340.082
where: short stacking energy: -129.837
Base-Backbone interact. energy: -0.084
local terms energy: -142.804337
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -44.681
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: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -402.177373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.177373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.177373 (E_RNA)
where:
Base-Base interactions energy: -273.499
where: short stacking energy: -108.080
Base-Backbone interact. energy: -0.725
local terms energy: -127.953753
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -33.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -427.424602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.424602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.424602 (E_RNA)
where:
Base-Base interactions energy: -306.899
where: short stacking energy: -123.859
Base-Backbone interact. energy: -0.114
local terms energy: -120.411351
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -35.023
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: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -109.929913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.929913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.929913 (E_RNA)
where:
Base-Base interactions energy: -44.180
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.085
local terms energy: -65.664876
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -548.381450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.381450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.381450 (E_RNA)
where:
Base-Base interactions energy: -385.896
where: short stacking energy: -149.546
Base-Backbone interact. energy: -0.002
local terms energy: -163.685546
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -32.331
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -47.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.202 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -535.423436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.423436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.423436 (E_RNA)
where:
Base-Base interactions energy: -383.088
where: short stacking energy: -151.234
Base-Backbone interact. energy: -0.004
local terms energy: -152.330915
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -44.422
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: 382
Temperature: 1.000000
Total energy: -541.430870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.430870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.430870 (E_RNA)
where:
Base-Base interactions energy: -394.505
where: short stacking energy: -156.900
Base-Backbone interact. energy: -0.001
local terms energy: -146.924641
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -47.939
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: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -531.804061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.804061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.804061 (E_RNA)
where:
Base-Base interactions energy: -385.929
where: short stacking energy: -149.522
Base-Backbone interact. energy: -0.010
local terms energy: -147.389942
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -46.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.524 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -514.691670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.691670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.691670 (E_RNA)
where:
Base-Base interactions energy: -370.727
where: short stacking energy: -138.230
Base-Backbone interact. energy: -0.042
local terms energy: -144.139298
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -46.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.216 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -503.272243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.272243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.272243 (E_RNA)
where:
Base-Base interactions energy: -365.942
where: short stacking energy: -142.810
Base-Backbone interact. energy: -0.240
local terms energy: -137.090217
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -26.999
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -43.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -507.914618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.914618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.914618 (E_RNA)
where:
Base-Base interactions energy: -373.278
where: short stacking energy: -142.405
Base-Backbone interact. energy: -0.590
local terms energy: -134.047182
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -41.238
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: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -373.073015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.073015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.073015 (E_RNA)
where:
Base-Base interactions energy: -262.968
where: short stacking energy: -102.868
Base-Backbone interact. energy: -0.357
local terms energy: -109.747314
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -433.821210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.821210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.821210 (E_RNA)
where:
Base-Base interactions energy: -312.429
where: short stacking energy: -120.628
Base-Backbone interact. energy: -0.718
local terms energy: -120.674763
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -35.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -113.547073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.547073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.547073 (E_RNA)
where:
Base-Base interactions energy: -22.509
where: short stacking energy: -19.056
Base-Backbone interact. energy: 1.169
local terms energy: -92.206747
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: 4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -545.498022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.498022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.498022 (E_RNA)
where:
Base-Base interactions energy: -386.399
where: short stacking energy: -147.973
Base-Backbone interact. energy: 0.596
local terms energy: -161.921302
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -25.516
tors. eta vs tors. theta energy: -48.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.226 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -550.772460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.772460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.772460 (E_RNA)
where:
Base-Base interactions energy: -389.762
where: short stacking energy: -153.135
Base-Backbone interact. energy: -0.002
local terms energy: -161.008856
where:
bonds (distance) C4'-P energy: -30.672
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -49.154
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: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -534.175075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.175075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.175075 (E_RNA)
where:
Base-Base interactions energy: -382.848
where: short stacking energy: -148.076
Base-Backbone interact. energy: -0.212
local terms energy: -151.114363
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -46.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -529.272886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.272886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.272886 (E_RNA)
where:
Base-Base interactions energy: -377.958
where: short stacking energy: -146.113
Base-Backbone interact. energy: -0.213
local terms energy: -151.101703
where:
bonds (distance) C4'-P energy: -28.596
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -47.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -524.026801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.026801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.026801 (E_RNA)
where:
Base-Base interactions energy: -376.649
where: short stacking energy: -142.282
Base-Backbone interact. energy: -0.009
local terms energy: -148.108997
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -46.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.740 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -495.500113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.500113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.500113 (E_RNA)
where:
Base-Base interactions energy: -356.463
where: short stacking energy: -135.469
Base-Backbone interact. energy: -0.346
local terms energy: -138.691758
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -39.572
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: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -493.765908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.765908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.765908 (E_RNA)
where:
Base-Base interactions energy: -354.910
where: short stacking energy: -139.423
Base-Backbone interact. energy: -0.061
local terms energy: -138.794870
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -42.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -436.484627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.484627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.484627 (E_RNA)
where:
Base-Base interactions energy: -310.585
where: short stacking energy: -120.124
Base-Backbone interact. energy: -0.110
local terms energy: -125.789687
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -38.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -360.040328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.040328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.040328 (E_RNA)
where:
Base-Base interactions energy: -249.117
where: short stacking energy: -93.485
Base-Backbone interact. energy: -0.099
local terms energy: -110.824618
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -116.431513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.431513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.431513 (E_RNA)
where:
Base-Base interactions energy: -53.107
where: short stacking energy: -29.289
Base-Backbone interact. energy: -0.359
local terms energy: -62.965150
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: 9.574
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: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -547.302364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.302364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.302364 (E_RNA)
where:
Base-Base interactions energy: -389.494
where: short stacking energy: -149.576
Base-Backbone interact. energy: -0.001
local terms energy: -158.639000
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -31.808
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -45.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.832 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -541.221354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.221354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.221354 (E_RNA)
where:
Base-Base interactions energy: -382.187
where: short stacking energy: -149.766
Base-Backbone interact. energy: -0.002
local terms energy: -159.032663
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -25.644
tors. eta vs tors. theta energy: -45.500
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: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -525.247077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.247077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.247077 (E_RNA)
where:
Base-Base interactions energy: -378.254
where: short stacking energy: -149.637
Base-Backbone interact. energy: -0.007
local terms energy: -148.373045
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -44.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.387 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -516.081310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.081310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.081310 (E_RNA)
where:
Base-Base interactions energy: -363.940
where: short stacking energy: -138.276
Base-Backbone interact. energy: -0.001
local terms energy: -152.858407
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -45.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.717 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -521.695164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.695164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.695164 (E_RNA)
where:
Base-Base interactions energy: -380.055
where: short stacking energy: -145.785
Base-Backbone interact. energy: -0.015
local terms energy: -141.624944
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -44.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -508.396217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.396217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.396217 (E_RNA)
where:
Base-Base interactions energy: -366.353
where: short stacking energy: -143.408
Base-Backbone interact. energy: -0.713
local terms energy: -142.039139
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -48.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.709 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -497.012558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.012558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.012558 (E_RNA)
where:
Base-Base interactions energy: -361.308
where: short stacking energy: -144.807
Base-Backbone interact. energy: -0.001
local terms energy: -135.703125
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -22.932
tors. eta vs tors. theta energy: -45.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -463.884183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.884183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.884183 (E_RNA)
where:
Base-Base interactions energy: -331.400
where: short stacking energy: -133.781
Base-Backbone interact. energy: -0.079
local terms energy: -132.405131
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -38.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -361.351129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.351129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.351129 (E_RNA)
where:
Base-Base interactions energy: -251.317
where: short stacking energy: -90.164
Base-Backbone interact. energy: -0.458
local terms energy: -109.576323
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: -27.974
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: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -127.279219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.279219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.279219 (E_RNA)
where:
Base-Base interactions energy: -49.366
where: short stacking energy: -47.246
Base-Backbone interact. energy: -0.491
local terms energy: -77.422292
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -16.194
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: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -554.495436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.495436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.495436 (E_RNA)
where:
Base-Base interactions energy: -399.032
where: short stacking energy: -156.147
Base-Backbone interact. energy: -0.004
local terms energy: -155.693055
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -48.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.234 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -526.623429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.623429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.623429 (E_RNA)
where:
Base-Base interactions energy: -369.983
where: short stacking energy: -140.260
Base-Backbone interact. energy: -0.024
local terms energy: -156.616413
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -21.933
tors. eta vs tors. theta energy: -45.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -533.237147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.237147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.237147 (E_RNA)
where:
Base-Base interactions energy: -388.064
where: short stacking energy: -150.697
Base-Backbone interact. energy: -0.042
local terms energy: -145.130878
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -46.032
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: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -516.377075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.377075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.377075 (E_RNA)
where:
Base-Base interactions energy: -372.454
where: short stacking energy: -146.378
Base-Backbone interact. energy: -0.000
local terms energy: -143.949267
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -42.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.027 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -515.375516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.375516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.375516 (E_RNA)
where:
Base-Base interactions energy: -375.918
where: short stacking energy: -145.507
Base-Backbone interact. energy: -0.094
local terms energy: -139.363001
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -45.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -490.685176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.685176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.685176 (E_RNA)
where:
Base-Base interactions energy: -349.253
where: short stacking energy: -139.193
Base-Backbone interact. energy: 1.607
local terms energy: -143.038737
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -41.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -510.141812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.141812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.141812 (E_RNA)
where:
Base-Base interactions energy: -366.905
where: short stacking energy: -144.711
Base-Backbone interact. energy: -0.001
local terms energy: -143.236372
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -46.193
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: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -471.261112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.261112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.261112 (E_RNA)
where:
Base-Base interactions energy: -333.064
where: short stacking energy: -132.861
Base-Backbone interact. energy: -0.008
local terms energy: -139.205395
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -40.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.016 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -373.026128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.026128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.026128 (E_RNA)
where:
Base-Base interactions energy: -253.446
where: short stacking energy: -98.683
Base-Backbone interact. energy: -0.396
local terms energy: -119.184314
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -26.320
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -27.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -116.135247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.135247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.135247 (E_RNA)
where:
Base-Base interactions energy: -39.555
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.382
local terms energy: -76.197853
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -554.865506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.865506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.865506 (E_RNA)
where:
Base-Base interactions energy: -400.262
where: short stacking energy: -158.291
Base-Backbone interact. energy: -0.211
local terms energy: -154.392537
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -50.621
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: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -534.778240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.778240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.778240 (E_RNA)
where:
Base-Base interactions energy: -384.033
where: short stacking energy: -146.166
Base-Backbone interact. energy: -0.088
local terms energy: -151.630886
where:
bonds (distance) C4'-P energy: -28.000
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -46.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.974 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -531.365407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.365407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.365407 (E_RNA)
where:
Base-Base interactions energy: -380.950
where: short stacking energy: -146.773
Base-Backbone interact. energy: -0.001
local terms energy: -150.415166
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -43.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -519.013716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.013716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.013716 (E_RNA)
where:
Base-Base interactions energy: -380.850
where: short stacking energy: -139.112
Base-Backbone interact. energy: -0.342
local terms energy: -137.821902
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -26.151
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -41.637
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: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -523.569445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.569445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.569445 (E_RNA)
where:
Base-Base interactions energy: -376.287
where: short stacking energy: -149.166
Base-Backbone interact. energy: -0.003
local terms energy: -148.610340
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -46.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.331 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -506.907701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.907701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.907701 (E_RNA)
where:
Base-Base interactions energy: -361.654
where: short stacking energy: -132.104
Base-Backbone interact. energy: -0.083
local terms energy: -145.170686
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -29.805
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -46.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -483.790204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.790204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.790204 (E_RNA)
where:
Base-Base interactions energy: -351.653
where: short stacking energy: -129.112
Base-Backbone interact. energy: -0.156
local terms energy: -131.980921
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -42.476
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: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -479.340661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.340661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.340661 (E_RNA)
where:
Base-Base interactions energy: -340.950
where: short stacking energy: -133.226
Base-Backbone interact. energy: -0.000
local terms energy: -138.390426
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -43.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -359.436902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.436902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.436902 (E_RNA)
where:
Base-Base interactions energy: -251.597
where: short stacking energy: -99.085
Base-Backbone interact. energy: 3.031
local terms energy: -110.871083
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -24.295
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -115.929952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.929952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.929952 (E_RNA)
where:
Base-Base interactions energy: -38.377
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.982
local terms energy: -76.571497
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -11.551
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: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -552.542775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.542775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.542775 (E_RNA)
where:
Base-Base interactions energy: -390.467
where: short stacking energy: -156.722
Base-Backbone interact. energy: -0.002
local terms energy: -162.559376
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -47.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.485 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -532.453204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.453204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.453204 (E_RNA)
where:
Base-Base interactions energy: -378.733
where: short stacking energy: -145.994
Base-Backbone interact. energy: -0.002
local terms energy: -155.056051
where:
bonds (distance) C4'-P energy: -28.130
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.338 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -533.255517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.255517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.255517 (E_RNA)
where:
Base-Base interactions energy: -386.562
where: short stacking energy: -153.923
Base-Backbone interact. energy: -0.595
local terms energy: -146.099240
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -30.958
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -45.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -517.588554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.588554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.588554 (E_RNA)
where:
Base-Base interactions energy: -377.035
where: short stacking energy: -144.778
Base-Backbone interact. energy: -0.177
local terms energy: -141.088929
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -43.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.713 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -522.464021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.464021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.464021 (E_RNA)
where:
Base-Base interactions energy: -375.316
where: short stacking energy: -140.566
Base-Backbone interact. energy: -0.665
local terms energy: -146.482931
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -46.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -499.813332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.813332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.813332 (E_RNA)
where:
Base-Base interactions energy: -370.125
where: short stacking energy: -139.765
Base-Backbone interact. energy: -0.179
local terms energy: -129.509023
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -44.146
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: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -502.436557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.436557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.436557 (E_RNA)
where:
Base-Base interactions energy: -361.475
where: short stacking energy: -141.634
Base-Backbone interact. energy: -0.254
local terms energy: -140.706994
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -44.767
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: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -500.656910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.656910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.656910 (E_RNA)
where:
Base-Base interactions energy: -358.906
where: short stacking energy: -142.781
Base-Backbone interact. energy: -0.319
local terms energy: -141.989281
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -47.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.557 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -363.329637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.329637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.329637 (E_RNA)
where:
Base-Base interactions energy: -254.386
where: short stacking energy: -95.209
Base-Backbone interact. energy: -0.297
local terms energy: -108.647049
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -25.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -111.886822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.886822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.886822 (E_RNA)
where:
Base-Base interactions energy: -47.103
where: short stacking energy: -25.290
Base-Backbone interact. energy: -1.380
local terms energy: -63.403566
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -7.758
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: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -553.264346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.264346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.264346 (E_RNA)
where:
Base-Base interactions energy: -383.040
where: short stacking energy: -150.251
Base-Backbone interact. energy: -0.569
local terms energy: -169.751445
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -47.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.096 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -542.445634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.445634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.445634 (E_RNA)
where:
Base-Base interactions energy: -388.645
where: short stacking energy: -149.037
Base-Backbone interact. energy: -0.194
local terms energy: -153.930918
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -48.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.324 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -535.730467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.730467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.730467 (E_RNA)
where:
Base-Base interactions energy: -384.858
where: short stacking energy: -145.263
Base-Backbone interact. energy: -0.122
local terms energy: -150.750204
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -43.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -526.672536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.672536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.672536 (E_RNA)
where:
Base-Base interactions energy: -377.260
where: short stacking energy: -145.763
Base-Backbone interact. energy: -0.002
local terms energy: -149.774992
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -46.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.365 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -503.806902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.806902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.806902 (E_RNA)
where:
Base-Base interactions energy: -360.546
where: short stacking energy: -141.822
Base-Backbone interact. energy: -0.003
local terms energy: -143.258131
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -31.230
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -41.359
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: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -501.987164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.987164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.987164 (E_RNA)
where:
Base-Base interactions energy: -355.825
where: short stacking energy: -142.209
Base-Backbone interact. energy: -0.134
local terms energy: -146.028735
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -43.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -501.469913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.469913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.469913 (E_RNA)
where:
Base-Base interactions energy: -357.635
where: short stacking energy: -135.767
Base-Backbone interact. energy: -0.771
local terms energy: -143.064366
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -42.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -491.243427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.243427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.243427 (E_RNA)
where:
Base-Base interactions energy: -357.467
where: short stacking energy: -142.971
Base-Backbone interact. energy: -0.001
local terms energy: -135.200124
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -44.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.425 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -339.708394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.708394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.708394 (E_RNA)
where:
Base-Base interactions energy: -239.648
where: short stacking energy: -93.603
Base-Backbone interact. energy: -0.259
local terms energy: -100.032012
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.230 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -143.794084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.794084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.794084 (E_RNA)
where:
Base-Base interactions energy: -66.282
where: short stacking energy: -41.111
Base-Backbone interact. energy: 1.099
local terms energy: -78.611115
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -546.575302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.575302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.575302 (E_RNA)
where:
Base-Base interactions energy: -386.827
where: short stacking energy: -153.034
Base-Backbone interact. energy: -0.010
local terms energy: -159.776448
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -49.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.038 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -544.261663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.261663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.261663 (E_RNA)
where:
Base-Base interactions energy: -394.799
where: short stacking energy: -152.833
Base-Backbone interact. energy: -0.002
local terms energy: -151.506004
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -28.163
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -48.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.045 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -529.508925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.508925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.508925 (E_RNA)
where:
Base-Base interactions energy: -385.916
where: short stacking energy: -147.350
Base-Backbone interact. energy: -0.002
local terms energy: -146.481020
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.890 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -525.248274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.248274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.248274 (E_RNA)
where:
Base-Base interactions energy: -375.491
where: short stacking energy: -140.504
Base-Backbone interact. energy: -0.212
local terms energy: -149.545296
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -26.473
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -46.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -506.839816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.839816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.839816 (E_RNA)
where:
Base-Base interactions energy: -361.950
where: short stacking energy: -137.386
Base-Backbone interact. energy: -0.315
local terms energy: -144.574885
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -44.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -504.382184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.382184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.382184 (E_RNA)
where:
Base-Base interactions energy: -371.024
where: short stacking energy: -134.051
Base-Backbone interact. energy: -0.486
local terms energy: -132.872762
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -26.691
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -41.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -494.988258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.988258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.988258 (E_RNA)
where:
Base-Base interactions energy: -362.394
where: short stacking energy: -140.198
Base-Backbone interact. energy: -0.001
local terms energy: -132.593410
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -45.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -498.601777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.601777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.601777 (E_RNA)
where:
Base-Base interactions energy: -351.199
where: short stacking energy: -140.870
Base-Backbone interact. energy: 0.679
local terms energy: -148.081710
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -45.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -355.858908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.858908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.858908 (E_RNA)
where:
Base-Base interactions energy: -242.538
where: short stacking energy: -91.885
Base-Backbone interact. energy: 0.558
local terms energy: -113.879066
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -24.430
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: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -126.367904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.367904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.367904 (E_RNA)
where:
Base-Base interactions energy: -44.374
where: short stacking energy: -27.293
Base-Backbone interact. energy: 0.700
local terms energy: -82.693766
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -9.392
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: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -552.183095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.183095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.183095 (E_RNA)
where:
Base-Base interactions energy: -394.117
where: short stacking energy: -152.803
Base-Backbone interact. energy: -0.041
local terms energy: -158.025170
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -46.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -536.173165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.173165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.173165 (E_RNA)
where:
Base-Base interactions energy: -390.764
where: short stacking energy: -153.754
Base-Backbone interact. energy: -0.632
local terms energy: -144.992571
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -46.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.216 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -528.389254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.389254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.389254 (E_RNA)
where:
Base-Base interactions energy: -377.834
where: short stacking energy: -145.547
Base-Backbone interact. energy: -0.000
local terms energy: -150.554388
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -28.992
flat angles C4'-P-C4' energy: -28.891
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -45.592
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: 390
Temperature: 1.050000
Total energy: -522.708575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.708575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.708575 (E_RNA)
where:
Base-Base interactions energy: -373.352
where: short stacking energy: -140.474
Base-Backbone interact. energy: 0.765
local terms energy: -150.122096
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -44.729
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: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -502.268013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.268013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.268013 (E_RNA)
where:
Base-Base interactions energy: -369.560
where: short stacking energy: -132.585
Base-Backbone interact. energy: 0.043
local terms energy: -133.177208
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -43.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -517.226648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.226648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.226648 (E_RNA)
where:
Base-Base interactions energy: -368.382
where: short stacking energy: -140.113
Base-Backbone interact. energy: -0.192
local terms energy: -148.652647
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -40.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -503.496855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.496855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.496855 (E_RNA)
where:
Base-Base interactions energy: -357.722
where: short stacking energy: -142.071
Base-Backbone interact. energy: -0.023
local terms energy: -145.752620
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -484.385234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.385234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.385234 (E_RNA)
where:
Base-Base interactions energy: -348.322
where: short stacking energy: -132.214
Base-Backbone interact. energy: 1.335
local terms energy: -137.397761
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -43.553
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: 390
Temperature: 1.300000
Total energy: -365.820274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.820274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.820274 (E_RNA)
where:
Base-Base interactions energy: -254.621
where: short stacking energy: -92.927
Base-Backbone interact. energy: -0.122
local terms energy: -111.076745
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -121.941306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.941306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.941306 (E_RNA)
where:
Base-Base interactions energy: -41.477
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.702
local terms energy: -80.130020
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -12.921
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: 0.368 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -551.548687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.548687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.548687 (E_RNA)
where:
Base-Base interactions energy: -397.206
where: short stacking energy: -156.132
Base-Backbone interact. energy: -0.000
local terms energy: -154.342584
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -49.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -542.774881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.774881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.774881 (E_RNA)
where:
Base-Base interactions energy: -389.572
where: short stacking energy: -153.840
Base-Backbone interact. energy: -0.001
local terms energy: -153.224616
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -49.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -538.287009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.287009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.287009 (E_RNA)
where:
Base-Base interactions energy: -382.424
where: short stacking energy: -147.059
Base-Backbone interact. energy: -0.280
local terms energy: -155.583658
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -34.821
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: -47.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -519.631806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.631806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.631806 (E_RNA)
where:
Base-Base interactions energy: -372.067
where: short stacking energy: -139.151
Base-Backbone interact. energy: -0.001
local terms energy: -148.150820
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -32.021
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -46.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.587 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -512.569373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.569373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.569373 (E_RNA)
where:
Base-Base interactions energy: -369.223
where: short stacking energy: -138.441
Base-Backbone interact. energy: -0.008
local terms energy: -144.278050
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -43.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.939 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -507.089535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.089535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.089535 (E_RNA)
where:
Base-Base interactions energy: -363.249
where: short stacking energy: -140.042
Base-Backbone interact. energy: -0.011
local terms energy: -143.829902
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -44.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -491.907409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.907409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.907409 (E_RNA)
where:
Base-Base interactions energy: -355.196
where: short stacking energy: -136.332
Base-Backbone interact. energy: -0.095
local terms energy: -136.616532
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -44.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -497.311412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.311412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.311412 (E_RNA)
where:
Base-Base interactions energy: -355.707
where: short stacking energy: -134.717
Base-Backbone interact. energy: -0.005
local terms energy: -141.600011
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -43.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -393.440425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.440425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.440425 (E_RNA)
where:
Base-Base interactions energy: -278.272
where: short stacking energy: -112.711
Base-Backbone interact. energy: -0.087
local terms energy: -115.081716
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -29.684
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: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -124.004288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.004288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.004288 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -24.578
Base-Backbone interact. energy: -1.525
local terms energy: -86.989505
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -16.828
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: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -549.821210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.821210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.821210 (E_RNA)
where:
Base-Base interactions energy: -386.021
where: short stacking energy: -148.575
Base-Backbone interact. energy: -0.001
local terms energy: -163.798881
where:
bonds (distance) C4'-P energy: -27.719
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -46.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -546.039614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.039614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.039614 (E_RNA)
where:
Base-Base interactions energy: -392.456
where: short stacking energy: -152.133
Base-Backbone interact. energy: -0.043
local terms energy: -153.541300
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -47.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -531.696389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.696389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.696389 (E_RNA)
where:
Base-Base interactions energy: -383.754
where: short stacking energy: -146.774
Base-Backbone interact. energy: -0.003
local terms energy: -148.284593
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -30.061
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.346 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -533.173315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.173315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.173315 (E_RNA)
where:
Base-Base interactions energy: -378.877
where: short stacking energy: -144.379
Base-Backbone interact. energy: 0.063
local terms energy: -154.359083
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -32.190
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -46.367
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: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -501.977266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.977266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.977266 (E_RNA)
where:
Base-Base interactions energy: -366.578
where: short stacking energy: -146.432
Base-Backbone interact. energy: -0.001
local terms energy: -135.398567
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -44.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -501.660672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.660672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.660672 (E_RNA)
where:
Base-Base interactions energy: -354.571
where: short stacking energy: -140.917
Base-Backbone interact. energy: -0.002
local terms energy: -147.087934
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -29.542
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -46.016
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: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -486.867901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.867901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.867901 (E_RNA)
where:
Base-Base interactions energy: -358.089
where: short stacking energy: -142.813
Base-Backbone interact. energy: -0.016
local terms energy: -128.883621
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -44.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.121 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -488.295789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.295789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.295789 (E_RNA)
where:
Base-Base interactions energy: -352.680
where: short stacking energy: -137.498
Base-Backbone interact. energy: -0.314
local terms energy: -135.302411
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -40.310
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: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -347.760517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.760517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.760517 (E_RNA)
where:
Base-Base interactions energy: -244.076
where: short stacking energy: -97.234
Base-Backbone interact. energy: 1.076
local terms energy: -104.760929
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -121.763517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.763517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.763517 (E_RNA)
where:
Base-Base interactions energy: -52.219
where: short stacking energy: -43.943
Base-Backbone interact. energy: -0.780
local terms energy: -68.784958
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: 3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.020 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -543.289121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.289121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.289121 (E_RNA)
where:
Base-Base interactions energy: -393.462
where: short stacking energy: -148.818
Base-Backbone interact. energy: -0.001
local terms energy: -149.826343
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -47.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -534.151122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.151122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.151122 (E_RNA)
where:
Base-Base interactions energy: -389.029
where: short stacking energy: -148.597
Base-Backbone interact. energy: -0.001
local terms energy: -145.121166
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -46.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -537.726637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.726637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.726637 (E_RNA)
where:
Base-Base interactions energy: -385.106
where: short stacking energy: -154.827
Base-Backbone interact. energy: -0.000
local terms energy: -152.620437
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -30.903
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -49.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -536.215563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.215563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.215563 (E_RNA)
where:
Base-Base interactions energy: -382.090
where: short stacking energy: -146.519
Base-Backbone interact. energy: -0.001
local terms energy: -154.124396
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -47.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -497.725962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.725962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.725962 (E_RNA)
where:
Base-Base interactions energy: -358.203
where: short stacking energy: -134.171
Base-Backbone interact. energy: -0.345
local terms energy: -139.177414
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -43.425
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: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -501.709674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.709674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.709674 (E_RNA)
where:
Base-Base interactions energy: -366.560
where: short stacking energy: -139.420
Base-Backbone interact. energy: -0.029
local terms energy: -135.120771
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -27.594
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -44.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -483.516744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.516744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.516744 (E_RNA)
where:
Base-Base interactions energy: -348.819
where: short stacking energy: -136.124
Base-Backbone interact. energy: 0.778
local terms energy: -138.308406
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -40.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.833 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -495.163732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.163732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.163732 (E_RNA)
where:
Base-Base interactions energy: -367.546
where: short stacking energy: -140.864
Base-Backbone interact. energy: -0.001
local terms energy: -127.616011
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -41.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -324.531969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.531969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.531969 (E_RNA)
where:
Base-Base interactions energy: -220.107
where: short stacking energy: -93.469
Base-Backbone interact. energy: 4.654
local terms energy: -109.079366
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -118.108200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.108200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.108200 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -24.354
Base-Backbone interact. energy: -0.666
local terms energy: -75.637807
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -17.877
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: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -542.338684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.338684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.338684 (E_RNA)
where:
Base-Base interactions energy: -397.589
where: short stacking energy: -156.895
Base-Backbone interact. energy: -0.003
local terms energy: -144.746164
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -47.729
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: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -536.021272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.021272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.021272 (E_RNA)
where:
Base-Base interactions energy: -386.428
where: short stacking energy: -148.733
Base-Backbone interact. energy: -0.001
local terms energy: -149.591641
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -46.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -543.352382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.352382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.352382 (E_RNA)
where:
Base-Base interactions energy: -389.654
where: short stacking energy: -152.340
Base-Backbone interact. energy: -0.001
local terms energy: -153.697539
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -24.561
tors. eta vs tors. theta energy: -46.137
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: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -523.788522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.788522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.788522 (E_RNA)
where:
Base-Base interactions energy: -374.989
where: short stacking energy: -146.347
Base-Backbone interact. energy: -0.002
local terms energy: -148.797554
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -44.842
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: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -513.098748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.098748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.098748 (E_RNA)
where:
Base-Base interactions energy: -372.124
where: short stacking energy: -143.250
Base-Backbone interact. energy: -0.041
local terms energy: -140.933194
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -42.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -497.366577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.366577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.366577 (E_RNA)
where:
Base-Base interactions energy: -358.183
where: short stacking energy: -137.620
Base-Backbone interact. energy: -0.006
local terms energy: -139.177891
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -27.466
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -41.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -479.501955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.501955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.501955 (E_RNA)
where:
Base-Base interactions energy: -346.714
where: short stacking energy: -123.520
Base-Backbone interact. energy: -0.002
local terms energy: -132.786527
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -38.261
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: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -473.464760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.464760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.464760 (E_RNA)
where:
Base-Base interactions energy: -348.800
where: short stacking energy: -131.614
Base-Backbone interact. energy: -0.050
local terms energy: -124.614616
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -42.051
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: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -321.059439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.059439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.059439 (E_RNA)
where:
Base-Base interactions energy: -213.134
where: short stacking energy: -90.438
Base-Backbone interact. energy: -0.229
local terms energy: -108.328750
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.633 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -115.628793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.628793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.628793 (E_RNA)
where:
Base-Base interactions energy: -45.536
where: short stacking energy: -35.512
Base-Backbone interact. energy: 0.790
local terms energy: -72.225659
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.342 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -549.875828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.875828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.875828 (E_RNA)
where:
Base-Base interactions energy: -394.554
where: short stacking energy: -155.659
Base-Backbone interact. energy: -0.008
local terms energy: -155.554055
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -49.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -545.865221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.865221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.865221 (E_RNA)
where:
Base-Base interactions energy: -387.519
where: short stacking energy: -150.860
Base-Backbone interact. energy: -0.000
local terms energy: -158.346296
where:
bonds (distance) C4'-P energy: -25.231
bonds (distance) P-C4' energy: -31.312
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -48.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -540.659480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.659480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.659480 (E_RNA)
where:
Base-Base interactions energy: -386.325
where: short stacking energy: -150.922
Base-Backbone interact. energy: 0.950
local terms energy: -155.283772
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -44.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -527.184030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.184030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.184030 (E_RNA)
where:
Base-Base interactions energy: -384.201
where: short stacking energy: -148.268
Base-Backbone interact. energy: -0.003
local terms energy: -142.980422
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -46.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -534.570466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.570466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.570466 (E_RNA)
where:
Base-Base interactions energy: -380.891
where: short stacking energy: -146.426
Base-Backbone interact. energy: -0.001
local terms energy: -153.678154
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -30.035
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -47.876
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: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -498.376080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.376080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.376080 (E_RNA)
where:
Base-Base interactions energy: -362.868
where: short stacking energy: -139.454
Base-Backbone interact. energy: -0.102
local terms energy: -135.413488
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -29.605
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -42.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -471.958248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.958248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.958248 (E_RNA)
where:
Base-Base interactions energy: -332.870
where: short stacking energy: -132.747
Base-Backbone interact. energy: -0.015
local terms energy: -139.073061
where:
bonds (distance) C4'-P energy: -28.929
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -39.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -481.848198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.848198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.848198 (E_RNA)
where:
Base-Base interactions energy: -358.706
where: short stacking energy: -134.022
Base-Backbone interact. energy: -0.079
local terms energy: -123.063801
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -40.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -330.335816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.335816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.335816 (E_RNA)
where:
Base-Base interactions energy: -223.146
where: short stacking energy: -88.024
Base-Backbone interact. energy: -0.232
local terms energy: -106.958288
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -29.202
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -114.017196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.017196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.017196 (E_RNA)
where:
Base-Base interactions energy: -41.040
where: short stacking energy: -39.294
Base-Backbone interact. energy: 4.289
local terms energy: -77.808053
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -15.498
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: 0.542 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -543.930622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.930622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.930622 (E_RNA)
where:
Base-Base interactions energy: -387.736
where: short stacking energy: -146.802
Base-Backbone interact. energy: -0.042
local terms energy: -157.524005
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -33.240
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -50.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.372 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -545.225345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.225345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.225345 (E_RNA)
where:
Base-Base interactions energy: -387.939
where: short stacking energy: -151.016
Base-Backbone interact. energy: -0.023
local terms energy: -157.263449
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -30.337
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -48.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -523.890921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.890921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.890921 (E_RNA)
where:
Base-Base interactions energy: -376.321
where: short stacking energy: -144.287
Base-Backbone interact. energy: -0.043
local terms energy: -148.519189
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -45.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.992 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -523.635193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.635193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.635193 (E_RNA)
where:
Base-Base interactions energy: -376.533
where: short stacking energy: -145.564
Base-Backbone interact. energy: -0.609
local terms energy: -146.492669
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -47.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -528.051946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.051946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.051946 (E_RNA)
where:
Base-Base interactions energy: -384.583
where: short stacking energy: -152.395
Base-Backbone interact. energy: -0.013
local terms energy: -143.455955
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -47.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -498.623884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.623884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.623884 (E_RNA)
where:
Base-Base interactions energy: -358.683
where: short stacking energy: -134.327
Base-Backbone interact. energy: -0.309
local terms energy: -139.977521
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -47.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.346 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -491.917825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.917825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.917825 (E_RNA)
where:
Base-Base interactions energy: -356.285
where: short stacking energy: -136.881
Base-Backbone interact. energy: 0.163
local terms energy: -136.877674
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -40.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.082 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -478.298599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.298599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.298599 (E_RNA)
where:
Base-Base interactions energy: -347.397
where: short stacking energy: -130.260
Base-Backbone interact. energy: -0.125
local terms energy: -130.893599
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -43.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -340.731324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.731324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.731324 (E_RNA)
where:
Base-Base interactions energy: -239.668
where: short stacking energy: -96.865
Base-Backbone interact. energy: -0.951
local terms energy: -100.111975
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -126.516710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.516710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.516710 (E_RNA)
where:
Base-Base interactions energy: -62.591
where: short stacking energy: -31.960
Base-Backbone interact. energy: -0.761
local terms energy: -63.165148
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: 6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -550.471077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.471077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.471077 (E_RNA)
where:
Base-Base interactions energy: -397.055
where: short stacking energy: -151.648
Base-Backbone interact. energy: -0.006
local terms energy: -154.244552
where:
bonds (distance) C4'-P energy: -24.366
bonds (distance) P-C4' energy: -30.371
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -47.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.834 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -520.987072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.987072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.987072 (E_RNA)
where:
Base-Base interactions energy: -365.904
where: short stacking energy: -144.543
Base-Backbone interact. energy: -0.014
local terms energy: -155.069100
where:
bonds (distance) C4'-P energy: -30.155
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -43.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -532.886936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.886936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.886936 (E_RNA)
where:
Base-Base interactions energy: -380.547
where: short stacking energy: -149.895
Base-Backbone interact. energy: -0.001
local terms energy: -152.338918
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -45.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -509.867515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.867515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.867515 (E_RNA)
where:
Base-Base interactions energy: -368.844
where: short stacking energy: -140.334
Base-Backbone interact. energy: -0.049
local terms energy: -140.974824
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -18.151
tors. eta vs tors. theta energy: -44.072
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: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -519.346394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.346394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.346394 (E_RNA)
where:
Base-Base interactions energy: -380.158
where: short stacking energy: -145.327
Base-Backbone interact. energy: -0.000
local terms energy: -139.187796
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -47.612
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: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -508.230460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.230460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.230460 (E_RNA)
where:
Base-Base interactions energy: -366.205
where: short stacking energy: -143.512
Base-Backbone interact. energy: -0.031
local terms energy: -144.278157
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.283 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -498.701629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.701629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.701629 (E_RNA)
where:
Base-Base interactions energy: -363.681
where: short stacking energy: -136.187
Base-Backbone interact. energy: -0.012
local terms energy: -136.060863
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -43.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.052 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -488.594120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.594120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.594120 (E_RNA)
where:
Base-Base interactions energy: -360.130
where: short stacking energy: -138.592
Base-Backbone interact. energy: -0.013
local terms energy: -128.451629
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -41.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -401.710144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.710144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.710144 (E_RNA)
where:
Base-Base interactions energy: -275.384
where: short stacking energy: -105.480
Base-Backbone interact. energy: -0.147
local terms energy: -126.178760
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -140.575698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.575698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.575698 (E_RNA)
where:
Base-Base interactions energy: -61.923
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.643
local terms energy: -78.009481
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -0.576
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: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -548.066589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.066589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.066589 (E_RNA)
where:
Base-Base interactions energy: -390.511
where: short stacking energy: -149.892
Base-Backbone interact. energy: -0.004
local terms energy: -157.551193
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -47.903
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: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -534.174786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.174786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.174786 (E_RNA)
where:
Base-Base interactions energy: -383.474
where: short stacking energy: -145.316
Base-Backbone interact. energy: -0.004
local terms energy: -150.697214
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -46.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -549.734610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.734610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.734610 (E_RNA)
where:
Base-Base interactions energy: -388.151
where: short stacking energy: -147.997
Base-Backbone interact. energy: -0.164
local terms energy: -162.675471
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -43.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.257 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -526.988040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.988040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.988040 (E_RNA)
where:
Base-Base interactions energy: -382.531
where: short stacking energy: -148.250
Base-Backbone interact. energy: -0.419
local terms energy: -144.037678
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -27.068
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -46.504
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: 398
Temperature: 1.100000
Total energy: -523.364874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.364874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.364874 (E_RNA)
where:
Base-Base interactions energy: -364.982
where: short stacking energy: -138.545
Base-Backbone interact. energy: -0.250
local terms energy: -158.132814
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -48.190
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -511.157637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.157637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.157637 (E_RNA)
where:
Base-Base interactions energy: -360.097
where: short stacking energy: -139.843
Base-Backbone interact. energy: -0.046
local terms energy: -151.014309
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -43.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -518.137673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.137673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.137673 (E_RNA)
where:
Base-Base interactions energy: -368.694
where: short stacking energy: -143.782
Base-Backbone interact. energy: -0.000
local terms energy: -151.000811
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -46.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.558 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -477.909905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.909905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.909905 (E_RNA)
where:
Base-Base interactions energy: -341.289
where: short stacking energy: -135.187
Base-Backbone interact. energy: -0.181
local terms energy: -137.013132
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -38.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.573 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -404.132110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.132110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.132110 (E_RNA)
where:
Base-Base interactions energy: -286.758
where: short stacking energy: -120.642
Base-Backbone interact. energy: -0.532
local terms energy: -116.842190
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -32.721
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: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -116.469018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.469018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.469018 (E_RNA)
where:
Base-Base interactions energy: -45.543
where: short stacking energy: -14.760
Base-Backbone interact. energy: -0.931
local terms energy: -69.995354
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -24.556
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -544.710843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.710843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.710843 (E_RNA)
where:
Base-Base interactions energy: -381.417
where: short stacking energy: -145.011
Base-Backbone interact. energy: -0.156
local terms energy: -164.286928
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -31.960
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -26.570
tors. eta vs tors. theta energy: -47.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.149 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -540.532068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.532068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.532068 (E_RNA)
where:
Base-Base interactions energy: -384.752
where: short stacking energy: -152.921
Base-Backbone interact. energy: -0.002
local terms energy: -155.778671
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -48.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -526.763262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.763262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.763262 (E_RNA)
where:
Base-Base interactions energy: -383.388
where: short stacking energy: -145.904
Base-Backbone interact. energy: -0.077
local terms energy: -143.298016
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -44.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -528.506624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.506624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.506624 (E_RNA)
where:
Base-Base interactions energy: -385.531
where: short stacking energy: -152.340
Base-Backbone interact. energy: 0.097
local terms energy: -143.072669
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -44.623
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: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -527.909462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.909462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.909462 (E_RNA)
where:
Base-Base interactions energy: -374.909
where: short stacking energy: -143.423
Base-Backbone interact. energy: -0.000
local terms energy: -153.000464
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -46.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -517.816559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.816559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.816559 (E_RNA)
where:
Base-Base interactions energy: -377.939
where: short stacking energy: -140.141
Base-Backbone interact. energy: -0.115
local terms energy: -139.761768
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -45.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -499.883210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.883210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.883210 (E_RNA)
where:
Base-Base interactions energy: -359.468
where: short stacking energy: -136.464
Base-Backbone interact. energy: -0.093
local terms energy: -140.321354
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -41.855
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: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -490.093910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.093910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.093910 (E_RNA)
where:
Base-Base interactions energy: -355.679
where: short stacking energy: -140.169
Base-Backbone interact. energy: -0.373
local terms energy: -134.041852
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -43.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -412.580686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.580686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.580686 (E_RNA)
where:
Base-Base interactions energy: -300.406
where: short stacking energy: -124.071
Base-Backbone interact. energy: -0.045
local terms energy: -112.129686
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -116.402944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.402944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.402944 (E_RNA)
where:
Base-Base interactions energy: -44.190
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.729
local terms energy: -71.483374
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -9.134
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: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -551.112027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.112027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.112027 (E_RNA)
where:
Base-Base interactions energy: -387.273
where: short stacking energy: -151.076
Base-Backbone interact. energy: -0.002
local terms energy: -163.837720
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -541.669094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.669094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.669094 (E_RNA)
where:
Base-Base interactions energy: -388.858
where: short stacking energy: -153.181
Base-Backbone interact. energy: -0.045
local terms energy: -152.765962
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -31.334
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -46.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -527.749099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.749099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.749099 (E_RNA)
where:
Base-Base interactions energy: -373.820
where: short stacking energy: -143.419
Base-Backbone interact. energy: -0.067
local terms energy: -156.427765
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -30.243
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -42.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.565 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -519.476786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.476786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.476786 (E_RNA)
where:
Base-Base interactions energy: -375.159
where: short stacking energy: -142.514
Base-Backbone interact. energy: -0.641
local terms energy: -145.470445
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -27.612
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -44.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.794 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -515.206278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.206278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.206278 (E_RNA)
where:
Base-Base interactions energy: -371.849
where: short stacking energy: -137.865
Base-Backbone interact. energy: -0.049
local terms energy: -143.308615
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -47.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -505.395966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.395966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.395966 (E_RNA)
where:
Base-Base interactions energy: -369.088
where: short stacking energy: -146.382
Base-Backbone interact. energy: 0.113
local terms energy: -136.420677
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: -46.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -501.035234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.035234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.035234 (E_RNA)
where:
Base-Base interactions energy: -364.737
where: short stacking energy: -130.187
Base-Backbone interact. energy: -0.001
local terms energy: -136.296892
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -476.798954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.798954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.798954 (E_RNA)
where:
Base-Base interactions energy: -346.512
where: short stacking energy: -134.250
Base-Backbone interact. energy: 0.449
local terms energy: -130.736548
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -41.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -430.440755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.440755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.440755 (E_RNA)
where:
Base-Base interactions energy: -297.893
where: short stacking energy: -117.930
Base-Backbone interact. energy: -0.129
local terms energy: -132.419042
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -35.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -110.493367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.493367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.493367 (E_RNA)
where:
Base-Base interactions energy: -37.892
where: short stacking energy: -27.044
Base-Backbone interact. energy: -0.274
local terms energy: -72.327142
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: 9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -551.479699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.479699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.479699 (E_RNA)
where:
Base-Base interactions energy: -388.132
where: short stacking energy: -152.179
Base-Backbone interact. energy: -0.002
local terms energy: -163.534884
where:
bonds (distance) C4'-P energy: -32.045
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -44.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.189 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -534.911325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.911325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.911325 (E_RNA)
where:
Base-Base interactions energy: -382.998
where: short stacking energy: -151.350
Base-Backbone interact. energy: -0.012
local terms energy: -152.174581
where:
bonds (distance) C4'-P energy: -28.590
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -46.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -537.660917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.660917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.660917 (E_RNA)
where:
Base-Base interactions energy: -389.839
where: short stacking energy: -154.220
Base-Backbone interact. energy: -0.004
local terms energy: -147.817970
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -29.905
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -48.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -511.002155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.002155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.002155 (E_RNA)
where:
Base-Base interactions energy: -354.210
where: short stacking energy: -138.156
Base-Backbone interact. energy: -0.795
local terms energy: -157.161525
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -43.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.164 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -524.824971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.824971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.824971 (E_RNA)
where:
Base-Base interactions energy: -375.123
where: short stacking energy: -144.327
Base-Backbone interact. energy: -0.001
local terms energy: -149.700193
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -48.101
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: 401
Temperature: 1.150000
Total energy: -516.040323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.040323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.040323 (E_RNA)
where:
Base-Base interactions energy: -373.582
where: short stacking energy: -144.115
Base-Backbone interact. energy: -0.004
local terms energy: -142.453797
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -44.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -509.378511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.378511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.378511 (E_RNA)
where:
Base-Base interactions energy: -373.054
where: short stacking energy: -144.132
Base-Backbone interact. energy: -0.002
local terms energy: -136.323201
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -46.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -474.415488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.415488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.415488 (E_RNA)
where:
Base-Base interactions energy: -343.660
where: short stacking energy: -133.443
Base-Backbone interact. energy: 0.085
local terms energy: -130.839983
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -38.488
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: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -420.185539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.185539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.185539 (E_RNA)
where:
Base-Base interactions energy: -293.430
where: short stacking energy: -108.932
Base-Backbone interact. energy: -0.427
local terms energy: -126.972417
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -33.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.644 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -115.325072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.325072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.325072 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -28.851
Base-Backbone interact. energy: 0.357
local terms energy: -80.988734
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: 1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -547.908449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.908449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.908449 (E_RNA)
where:
Base-Base interactions energy: -394.148
where: short stacking energy: -154.584
Base-Backbone interact. energy: -0.631
local terms energy: -154.467471
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -24.261
tors. eta vs tors. theta energy: -47.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.338 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -535.743487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.743487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.743487 (E_RNA)
where:
Base-Base interactions energy: -383.485
where: short stacking energy: -144.561
Base-Backbone interact. energy: -0.005
local terms energy: -152.417401
where:
bonds (distance) C4'-P energy: -26.160
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -45.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.164 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -536.909618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.909618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.909618 (E_RNA)
where:
Base-Base interactions energy: -384.617
where: short stacking energy: -149.379
Base-Backbone interact. energy: -0.001
local terms energy: -152.292258
where:
bonds (distance) C4'-P energy: -30.336
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -46.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -513.036087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.036087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.036087 (E_RNA)
where:
Base-Base interactions energy: -372.944
where: short stacking energy: -138.290
Base-Backbone interact. energy: -0.036
local terms energy: -140.055489
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -41.208
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: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -518.618844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.618844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.618844 (E_RNA)
where:
Base-Base interactions energy: -369.722
where: short stacking energy: -140.044
Base-Backbone interact. energy: -0.004
local terms energy: -148.892796
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -500.727823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.727823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.727823 (E_RNA)
where:
Base-Base interactions energy: -358.341
where: short stacking energy: -141.937
Base-Backbone interact. energy: -0.488
local terms energy: -141.898949
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -48.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -506.690646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.690646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.690646 (E_RNA)
where:
Base-Base interactions energy: -367.178
where: short stacking energy: -142.653
Base-Backbone interact. energy: -0.000
local terms energy: -140.233851
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -42.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.722 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -493.081097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.081097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.081097 (E_RNA)
where:
Base-Base interactions energy: -346.177
where: short stacking energy: -137.154
Base-Backbone interact. energy: -0.450
local terms energy: -146.454058
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -41.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -428.149389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.149389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.149389 (E_RNA)
where:
Base-Base interactions energy: -304.928
where: short stacking energy: -117.624
Base-Backbone interact. energy: -0.013
local terms energy: -123.208234
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -36.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -138.556643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.556643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.556643 (E_RNA)
where:
Base-Base interactions energy: -51.365
where: short stacking energy: -31.971
Base-Backbone interact. energy: 0.804
local terms energy: -87.995595
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -548.004609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.004609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.004609 (E_RNA)
where:
Base-Base interactions energy: -388.498
where: short stacking energy: -150.467
Base-Backbone interact. energy: -0.723
local terms energy: -158.783646
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -46.225
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: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -548.920185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.920185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.920185 (E_RNA)
where:
Base-Base interactions energy: -398.474
where: short stacking energy: -158.116
Base-Backbone interact. energy: -0.000
local terms energy: -150.445875
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -46.335
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: 403
Temperature: 1.000000
Total energy: -534.349159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.349159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.349159 (E_RNA)
where:
Base-Base interactions energy: -389.746
where: short stacking energy: -144.451
Base-Backbone interact. energy: -0.010
local terms energy: -144.715943
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -46.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.122 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -526.106939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.106939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.106939 (E_RNA)
where:
Base-Base interactions energy: -377.890
where: short stacking energy: -141.047
Base-Backbone interact. energy: -0.006
local terms energy: -148.865136
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -44.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.654 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -515.003332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.003332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.003332 (E_RNA)
where:
Base-Base interactions energy: -363.346
where: short stacking energy: -137.253
Base-Backbone interact. energy: -0.006
local terms energy: -151.651712
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -45.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -503.409456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.409456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.409456 (E_RNA)
where:
Base-Base interactions energy: -358.244
where: short stacking energy: -144.434
Base-Backbone interact. energy: -0.241
local terms energy: -144.924075
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -39.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -510.685693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.685693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.685693 (E_RNA)
where:
Base-Base interactions energy: -379.829
where: short stacking energy: -144.065
Base-Backbone interact. energy: -0.002
local terms energy: -130.855066
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -26.729
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -47.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -495.856121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.856121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.856121 (E_RNA)
where:
Base-Base interactions energy: -368.305
where: short stacking energy: -142.873
Base-Backbone interact. energy: -0.002
local terms energy: -127.549058
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -43.808
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: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -475.335168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.335168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.335168 (E_RNA)
where:
Base-Base interactions energy: -362.897
where: short stacking energy: -139.797
Base-Backbone interact. energy: -0.423
local terms energy: -112.014908
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -41.736
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: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -124.606577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.606577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.606577 (E_RNA)
where:
Base-Base interactions energy: -47.521
where: short stacking energy: -25.552
Base-Backbone interact. energy: 1.451
local terms energy: -78.536272
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: 7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -539.627702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.627702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.627702 (E_RNA)
where:
Base-Base interactions energy: -379.512
where: short stacking energy: -150.818
Base-Backbone interact. energy: -0.002
local terms energy: -160.113082
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -542.286844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.286844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.286844 (E_RNA)
where:
Base-Base interactions energy: -386.989
where: short stacking energy: -146.458
Base-Backbone interact. energy: -0.000
local terms energy: -155.297625
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -45.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -528.131772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.131772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.131772 (E_RNA)
where:
Base-Base interactions energy: -379.929
where: short stacking energy: -142.923
Base-Backbone interact. energy: -0.195
local terms energy: -148.007723
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -48.522
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: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -517.810780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.810780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.810780 (E_RNA)
where:
Base-Base interactions energy: -375.716
where: short stacking energy: -142.903
Base-Backbone interact. energy: -0.022
local terms energy: -142.908254
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -46.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.835 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -522.374743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.374743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.374743 (E_RNA)
where:
Base-Base interactions energy: -375.341
where: short stacking energy: -151.417
Base-Backbone interact. energy: -0.254
local terms energy: -146.779691
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -48.190
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: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -503.288110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.288110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.288110 (E_RNA)
where:
Base-Base interactions energy: -376.512
where: short stacking energy: -144.111
Base-Backbone interact. energy: -0.002
local terms energy: -127.085614
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -41.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.312 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -484.704514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.704514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.704514 (E_RNA)
where:
Base-Base interactions energy: -351.363
where: short stacking energy: -127.058
Base-Backbone interact. energy: -0.034
local terms energy: -133.307444
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -40.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -468.407635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.407635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.407635 (E_RNA)
where:
Base-Base interactions energy: -329.192
where: short stacking energy: -129.069
Base-Backbone interact. energy: -0.002
local terms energy: -139.213767
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -38.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -466.234775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.234775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.234775 (E_RNA)
where:
Base-Base interactions energy: -335.605
where: short stacking energy: -131.855
Base-Backbone interact. energy: 0.938
local terms energy: -131.566980
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -27.412
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -39.365
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: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -117.467250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.467250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.467250 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -39.489
Base-Backbone interact. energy: -0.311
local terms energy: -73.970547
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: 4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -544.667486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.667486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.667486 (E_RNA)
where:
Base-Base interactions energy: -390.441
where: short stacking energy: -154.564
Base-Backbone interact. energy: -0.001
local terms energy: -154.225390
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -48.401
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: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -535.303134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.303134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.303134 (E_RNA)
where:
Base-Base interactions energy: -384.040
where: short stacking energy: -147.014
Base-Backbone interact. energy: -0.002
local terms energy: -151.260988
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -47.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -540.002557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.002557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.002557 (E_RNA)
where:
Base-Base interactions energy: -380.790
where: short stacking energy: -145.281
Base-Backbone interact. energy: -0.244
local terms energy: -158.968390
where:
bonds (distance) C4'-P energy: -31.321
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -45.607
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: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -523.452845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.452845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.452845 (E_RNA)
where:
Base-Base interactions energy: -383.614
where: short stacking energy: -148.920
Base-Backbone interact. energy: -0.291
local terms energy: -139.547320
where:
bonds (distance) C4'-P energy: -27.170
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -27.738
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -42.931
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: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -516.943112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.943112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.943112 (E_RNA)
where:
Base-Base interactions energy: -363.855
where: short stacking energy: -141.810
Base-Backbone interact. energy: -0.001
local terms energy: -153.087640
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -48.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -497.419915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.419915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.419915 (E_RNA)
where:
Base-Base interactions energy: -367.242
where: short stacking energy: -138.822
Base-Backbone interact. energy: -0.002
local terms energy: -130.176233
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -46.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -499.138985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.138985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.138985 (E_RNA)
where:
Base-Base interactions energy: -363.880
where: short stacking energy: -141.441
Base-Backbone interact. energy: -0.041
local terms energy: -135.217583
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -21.076
tors. eta vs tors. theta energy: -44.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -445.146585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.146585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.146585 (E_RNA)
where:
Base-Base interactions energy: -321.648
where: short stacking energy: -122.119
Base-Backbone interact. energy: -0.257
local terms energy: -123.575734
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -38.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.334 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -472.421466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.421466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.421466 (E_RNA)
where:
Base-Base interactions energy: -340.546
where: short stacking energy: -122.839
Base-Backbone interact. energy: -0.044
local terms energy: -131.831195
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -42.327
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -122.563593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.563593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.563593 (E_RNA)
where:
Base-Base interactions energy: -40.881
where: short stacking energy: -32.956
Base-Backbone interact. energy: -0.932
local terms energy: -80.750633
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -12.546
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: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -549.708070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.708070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.708070 (E_RNA)
where:
Base-Base interactions energy: -394.159
where: short stacking energy: -153.432
Base-Backbone interact. energy: -0.030
local terms energy: -155.519247
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -46.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -545.560868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.560868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.560868 (E_RNA)
where:
Base-Base interactions energy: -387.969
where: short stacking energy: -149.854
Base-Backbone interact. energy: -0.575
local terms energy: -157.016718
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -46.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -532.113939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.113939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.113939 (E_RNA)
where:
Base-Base interactions energy: -379.363
where: short stacking energy: -141.270
Base-Backbone interact. energy: -0.100
local terms energy: -152.650482
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -28.202
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -43.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -526.105027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.105027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.105027 (E_RNA)
where:
Base-Base interactions energy: -380.618
where: short stacking energy: -145.219
Base-Backbone interact. energy: -0.319
local terms energy: -145.574145
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -47.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.406 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -513.282424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.282424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.282424 (E_RNA)
where:
Base-Base interactions energy: -364.477
where: short stacking energy: -142.287
Base-Backbone interact. energy: -0.001
local terms energy: -148.804853
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -500.282574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.282574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.282574 (E_RNA)
where:
Base-Base interactions energy: -366.684
where: short stacking energy: -140.931
Base-Backbone interact. energy: -0.107
local terms energy: -133.596888
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -43.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.106 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -492.889741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.889741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.889741 (E_RNA)
where:
Base-Base interactions energy: -353.146
where: short stacking energy: -134.932
Base-Backbone interact. energy: -0.007
local terms energy: -139.737011
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -26.319
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -41.340
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: 406
Temperature: 1.250000
Total energy: -472.676308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.676308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.676308 (E_RNA)
where:
Base-Base interactions energy: -339.279
where: short stacking energy: -126.565
Base-Backbone interact. energy: -0.053
local terms energy: -133.344642
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -476.330959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.330959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.330959 (E_RNA)
where:
Base-Base interactions energy: -345.208
where: short stacking energy: -126.057
Base-Backbone interact. energy: -0.014
local terms energy: -131.670425
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.562 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -110.113015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.113015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.113015 (E_RNA)
where:
Base-Base interactions energy: -29.288
where: short stacking energy: -26.552
Base-Backbone interact. energy: 0.413
local terms energy: -82.323170
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: 1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.086 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -548.240465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.240465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.240465 (E_RNA)
where:
Base-Base interactions energy: -395.219
where: short stacking energy: -154.923
Base-Backbone interact. energy: -0.001
local terms energy: -153.020863
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -30.318
flat angles P-C4'-P energy: -25.484
tors. eta vs tors. theta energy: -44.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -527.686234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.686234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.686234 (E_RNA)
where:
Base-Base interactions energy: -383.605
where: short stacking energy: -145.038
Base-Backbone interact. energy: 1.068
local terms energy: -146.636616
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -47.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.488 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -532.808058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.808058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.808058 (E_RNA)
where:
Base-Base interactions energy: -379.616
where: short stacking energy: -143.030
Base-Backbone interact. energy: -0.127
local terms energy: -153.065034
where:
bonds (distance) C4'-P energy: -26.734
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -46.733
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: 407
Temperature: 1.050000
Total energy: -526.818487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.818487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.818487 (E_RNA)
where:
Base-Base interactions energy: -375.908
where: short stacking energy: -142.069
Base-Backbone interact. energy: -0.000
local terms energy: -150.910349
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -48.562
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: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -528.359232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.359232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.359232 (E_RNA)
where:
Base-Base interactions energy: -376.094
where: short stacking energy: -147.541
Base-Backbone interact. energy: -0.003
local terms energy: -152.262942
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -49.800
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: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -528.441243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.441243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.441243 (E_RNA)
where:
Base-Base interactions energy: -377.828
where: short stacking energy: -147.036
Base-Backbone interact. energy: -0.062
local terms energy: -151.896610
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -46.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.345 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -479.250141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.250141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.250141 (E_RNA)
where:
Base-Base interactions energy: -342.151
where: short stacking energy: -128.398
Base-Backbone interact. energy: -0.737
local terms energy: -136.821810
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -43.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.460 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -466.135079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.135079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.135079 (E_RNA)
where:
Base-Base interactions energy: -330.656
where: short stacking energy: -129.329
Base-Backbone interact. energy: -0.012
local terms energy: -135.466898
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -38.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -471.600616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.600616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.600616 (E_RNA)
where:
Base-Base interactions energy: -339.887
where: short stacking energy: -134.884
Base-Backbone interact. energy: 0.305
local terms energy: -132.018050
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -41.481
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: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -130.196110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.196110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.196110 (E_RNA)
where:
Base-Base interactions energy: -65.291
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.292
local terms energy: -64.613609
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: 6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -548.263308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.263308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.263308 (E_RNA)
where:
Base-Base interactions energy: -393.580
where: short stacking energy: -152.365
Base-Backbone interact. energy: -0.001
local terms energy: -154.682729
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -48.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -546.815061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.815061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.815061 (E_RNA)
where:
Base-Base interactions energy: -393.141
where: short stacking energy: -154.658
Base-Backbone interact. energy: -0.000
local terms energy: -154.033888
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -46.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.360 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -524.015126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.015126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.015126 (E_RNA)
where:
Base-Base interactions energy: -380.757
where: short stacking energy: -145.792
Base-Backbone interact. energy: -0.002
local terms energy: -143.256515
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -29.683
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -46.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -524.869884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.869884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.869884 (E_RNA)
where:
Base-Base interactions energy: -386.712
where: short stacking energy: -150.598
Base-Backbone interact. energy: -0.001
local terms energy: -138.156669
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -45.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -523.210659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.210659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.210659 (E_RNA)
where:
Base-Base interactions energy: -368.232
where: short stacking energy: -141.581
Base-Backbone interact. energy: -0.091
local terms energy: -156.960086
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -47.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.073 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -508.681543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.681543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.681543 (E_RNA)
where:
Base-Base interactions energy: -374.273
where: short stacking energy: -144.468
Base-Backbone interact. energy: -0.022
local terms energy: -134.386213
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -42.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -486.426284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.426284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.426284 (E_RNA)
where:
Base-Base interactions energy: -349.418
where: short stacking energy: -137.009
Base-Backbone interact. energy: -0.169
local terms energy: -138.296480
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -45.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.458 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -434.254120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.254120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.254120 (E_RNA)
where:
Base-Base interactions energy: -303.864
where: short stacking energy: -110.410
Base-Backbone interact. energy: 0.389
local terms energy: -130.779401
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -39.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -455.768752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.768752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.768752 (E_RNA)
where:
Base-Base interactions energy: -331.020
where: short stacking energy: -122.059
Base-Backbone interact. energy: -0.013
local terms energy: -124.735966
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -36.012
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: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -137.449616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.449616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.449616 (E_RNA)
where:
Base-Base interactions energy: -48.445
where: short stacking energy: -33.493
Base-Backbone interact. energy: 0.038
local terms energy: -89.043279
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -544.816232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.816232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.816232 (E_RNA)
where:
Base-Base interactions energy: -390.594
where: short stacking energy: -153.368
Base-Backbone interact. energy: -0.002
local terms energy: -154.220714
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -47.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -538.810419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.810419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.810419 (E_RNA)
where:
Base-Base interactions energy: -384.537
where: short stacking energy: -145.806
Base-Backbone interact. energy: -0.001
local terms energy: -154.273097
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -31.191
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -47.017
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: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -520.291457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.291457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.291457 (E_RNA)
where:
Base-Base interactions energy: -367.934
where: short stacking energy: -135.778
Base-Backbone interact. energy: -0.145
local terms energy: -152.211808
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -41.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -526.989768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.989768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.989768 (E_RNA)
where:
Base-Base interactions energy: -372.320
where: short stacking energy: -143.478
Base-Backbone interact. energy: -0.006
local terms energy: -154.712215
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -45.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.048 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -514.144738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.144738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.144738 (E_RNA)
where:
Base-Base interactions energy: -362.207
where: short stacking energy: -142.739
Base-Backbone interact. energy: -0.217
local terms energy: -151.721389
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -48.662
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: 409
Temperature: 1.150000
Total energy: -492.785099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.785099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.785099 (E_RNA)
where:
Base-Base interactions energy: -359.442
where: short stacking energy: -134.557
Base-Backbone interact. energy: -0.088
local terms energy: -134.204569
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -43.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.949 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -482.649067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.649067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.649067 (E_RNA)
where:
Base-Base interactions energy: -349.470
where: short stacking energy: -134.061
Base-Backbone interact. energy: -0.046
local terms energy: -133.132479
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -39.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -476.822955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.822955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.822955 (E_RNA)
where:
Base-Base interactions energy: -336.399
where: short stacking energy: -125.415
Base-Backbone interact. energy: -0.016
local terms energy: -140.407809
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -43.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -434.285747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.285747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.285747 (E_RNA)
where:
Base-Base interactions energy: -304.845
where: short stacking energy: -117.843
Base-Backbone interact. energy: -0.011
local terms energy: -130.292606
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -25.229
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -36.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.863 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -131.061900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.061900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.061900 (E_RNA)
where:
Base-Base interactions energy: -60.809
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.948
local terms energy: -71.287136
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: 2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.982 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -551.093525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.093525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.093525 (E_RNA)
where:
Base-Base interactions energy: -389.891
where: short stacking energy: -154.447
Base-Backbone interact. energy: -0.001
local terms energy: -161.201371
where:
bonds (distance) C4'-P energy: -25.681
bonds (distance) P-C4' energy: -25.975
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -26.495
tors. eta vs tors. theta energy: -50.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -545.121169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.121169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.121169 (E_RNA)
where:
Base-Base interactions energy: -389.708
where: short stacking energy: -150.753
Base-Backbone interact. energy: -0.001
local terms energy: -155.412667
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -49.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -536.852062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.852062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.852062 (E_RNA)
where:
Base-Base interactions energy: -389.158
where: short stacking energy: -149.498
Base-Backbone interact. energy: -0.003
local terms energy: -147.738826
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -23.404
tors. eta vs tors. theta energy: -45.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.048 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -530.724161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.724161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.724161 (E_RNA)
where:
Base-Base interactions energy: -381.397
where: short stacking energy: -148.696
Base-Backbone interact. energy: -0.001
local terms energy: -149.326472
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -47.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -514.722400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.722400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.722400 (E_RNA)
where:
Base-Base interactions energy: -372.507
where: short stacking energy: -137.653
Base-Backbone interact. energy: -0.002
local terms energy: -142.213840
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -28.854
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -44.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -491.331216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.331216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.331216 (E_RNA)
where:
Base-Base interactions energy: -347.376
where: short stacking energy: -130.163
Base-Backbone interact. energy: -0.080
local terms energy: -144.008504
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -41.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.133 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -493.984979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.984979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.984979 (E_RNA)
where:
Base-Base interactions energy: -360.827
where: short stacking energy: -134.467
Base-Backbone interact. energy: -0.031
local terms energy: -133.126347
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -477.381357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.381357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.381357 (E_RNA)
where:
Base-Base interactions energy: -347.027
where: short stacking energy: -131.942
Base-Backbone interact. energy: -0.017
local terms energy: -130.337643
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -433.852595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.852595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.852595 (E_RNA)
where:
Base-Base interactions energy: -300.995
where: short stacking energy: -118.847
Base-Backbone interact. energy: -0.270
local terms energy: -132.586820
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -40.714
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: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -124.968117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.968117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.968117 (E_RNA)
where:
Base-Base interactions energy: -44.498
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.598
local terms energy: -81.313563
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -16.840
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: 1.442 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -546.183023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.183023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.183023 (E_RNA)
where:
Base-Base interactions energy: -387.504
where: short stacking energy: -147.410
Base-Backbone interact. energy: -0.002
local terms energy: -158.677510
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -47.249
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: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -534.542984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.542984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.542984 (E_RNA)
where:
Base-Base interactions energy: -380.612
where: short stacking energy: -147.987
Base-Backbone interact. energy: -0.008
local terms energy: -154.001240
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -45.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -541.004805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.004805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.004805 (E_RNA)
where:
Base-Base interactions energy: -390.430
where: short stacking energy: -149.876
Base-Backbone interact. energy: -0.068
local terms energy: -150.507260
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -46.902
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: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -527.299615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.299615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.299615 (E_RNA)
where:
Base-Base interactions energy: -375.664
where: short stacking energy: -143.070
Base-Backbone interact. energy: -0.708
local terms energy: -150.927285
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -45.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -523.565159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.565159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.565159 (E_RNA)
where:
Base-Base interactions energy: -374.726
where: short stacking energy: -148.151
Base-Backbone interact. energy: -0.048
local terms energy: -148.790673
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -29.758
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -44.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -501.948165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.948165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.948165 (E_RNA)
where:
Base-Base interactions energy: -374.930
where: short stacking energy: -141.377
Base-Backbone interact. energy: -0.002
local terms energy: -127.016406
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -42.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -464.948170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.948170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.948170 (E_RNA)
where:
Base-Base interactions energy: -338.571
where: short stacking energy: -127.833
Base-Backbone interact. energy: -0.072
local terms energy: -126.943978
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -39.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.639 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -480.479408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.479408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.479408 (E_RNA)
where:
Base-Base interactions energy: -345.988
where: short stacking energy: -130.946
Base-Backbone interact. energy: -0.572
local terms energy: -133.919092
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -38.845
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: 411
Temperature: 1.300000
Total energy: -423.121876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.121876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.121876 (E_RNA)
where:
Base-Base interactions energy: -308.174
where: short stacking energy: -113.255
Base-Backbone interact. energy: -0.312
local terms energy: -114.636499
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -34.143
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: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -122.536240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.536240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.536240 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -17.201
Base-Backbone interact. energy: -0.135
local terms energy: -88.741834
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: 6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -547.733792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.733792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.733792 (E_RNA)
where:
Base-Base interactions energy: -389.139
where: short stacking energy: -150.697
Base-Backbone interact. energy: -0.000
local terms energy: -159.373623
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -31.618
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -48.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.779 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -536.134839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.134839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.134839 (E_RNA)
where:
Base-Base interactions energy: -387.873
where: short stacking energy: -150.020
Base-Backbone interact. energy: -0.002
local terms energy: -148.259748
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -24.064
tors. eta vs tors. theta energy: -45.389
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: 412
Temperature: 1.000000
Total energy: -549.573732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.573732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.573732 (E_RNA)
where:
Base-Base interactions energy: -387.426
where: short stacking energy: -147.123
Base-Backbone interact. energy: -0.002
local terms energy: -162.145670
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -48.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -525.943614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.943614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.943614 (E_RNA)
where:
Base-Base interactions energy: -375.200
where: short stacking energy: -145.292
Base-Backbone interact. energy: -0.440
local terms energy: -150.303747
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -45.476
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: 412
Temperature: 1.100000
Total energy: -519.386938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.386938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.386938 (E_RNA)
where:
Base-Base interactions energy: -378.524
where: short stacking energy: -143.428
Base-Backbone interact. energy: -0.163
local terms energy: -140.699367
where:
bonds (distance) C4'-P energy: -24.107
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -46.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -497.210004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.210004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.210004 (E_RNA)
where:
Base-Base interactions energy: -362.631
where: short stacking energy: -137.532
Base-Backbone interact. energy: -0.002
local terms energy: -135.750060
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -43.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.173 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -506.253980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.253980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.253980 (E_RNA)
where:
Base-Base interactions energy: -361.999
where: short stacking energy: -140.865
Base-Backbone interact. energy: -0.001
local terms energy: -144.254425
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -47.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -469.797590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.797590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.797590 (E_RNA)
where:
Base-Base interactions energy: -342.637
where: short stacking energy: -126.900
Base-Backbone interact. energy: -0.039
local terms energy: -127.121588
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -37.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -406.394332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.394332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.394332 (E_RNA)
where:
Base-Base interactions energy: -277.765
where: short stacking energy: -108.739
Base-Backbone interact. energy: -0.994
local terms energy: -127.635018
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -34.605
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: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -126.221772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.221772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.221772 (E_RNA)
where:
Base-Base interactions energy: -59.324
where: short stacking energy: -31.726
Base-Backbone interact. energy: 4.737
local terms energy: -72.815439
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.181 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -542.216557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.216557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.216557 (E_RNA)
where:
Base-Base interactions energy: -397.706
where: short stacking energy: -158.132
Base-Backbone interact. energy: -0.001
local terms energy: -145.080646
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -29.682
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -48.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.571 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -541.533121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.533121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.533121 (E_RNA)
where:
Base-Base interactions energy: -390.623
where: short stacking energy: -150.546
Base-Backbone interact. energy: -0.000
local terms energy: -150.909906
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -46.366
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: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -523.371302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.371302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.371302 (E_RNA)
where:
Base-Base interactions energy: -382.373
where: short stacking energy: -143.872
Base-Backbone interact. energy: -0.004
local terms energy: -142.454204
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -45.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.460 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -526.198529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.198529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.198529 (E_RNA)
where:
Base-Base interactions energy: -378.368
where: short stacking energy: -143.827
Base-Backbone interact. energy: -0.001
local terms energy: -148.063408
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -43.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.234 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -505.606803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.606803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.606803 (E_RNA)
where:
Base-Base interactions energy: -377.248
where: short stacking energy: -137.117
Base-Backbone interact. energy: -0.008
local terms energy: -128.351177
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -43.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -508.356253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.356253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.356253 (E_RNA)
where:
Base-Base interactions energy: -357.542
where: short stacking energy: -146.105
Base-Backbone interact. energy: -0.167
local terms energy: -150.648113
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -30.906
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -45.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -493.902890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.902890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.902890 (E_RNA)
where:
Base-Base interactions energy: -354.637
where: short stacking energy: -136.755
Base-Backbone interact. energy: -0.020
local terms energy: -139.245882
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -43.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -435.009991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.009991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.009991 (E_RNA)
where:
Base-Base interactions energy: -301.546
where: short stacking energy: -121.524
Base-Backbone interact. energy: -0.090
local terms energy: -134.346426
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -26.479
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -36.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.973 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -403.675148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.675148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.675148 (E_RNA)
where:
Base-Base interactions energy: -293.384
where: short stacking energy: -111.786
Base-Backbone interact. energy: -0.176
local terms energy: -110.436734
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -34.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.321 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -117.742243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.742243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.742243 (E_RNA)
where:
Base-Base interactions energy: -28.080
where: short stacking energy: -28.080
Base-Backbone interact. energy: 2.002
local terms energy: -91.664691
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -541.261406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.261406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.261406 (E_RNA)
where:
Base-Base interactions energy: -385.502
where: short stacking energy: -151.590
Base-Backbone interact. energy: -0.314
local terms energy: -155.446131
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -30.283
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -538.651665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.651665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.651665 (E_RNA)
where:
Base-Base interactions energy: -384.459
where: short stacking energy: -151.762
Base-Backbone interact. energy: -0.001
local terms energy: -154.263061
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -50.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.072 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -519.323007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.323007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.323007 (E_RNA)
where:
Base-Base interactions energy: -372.422
where: short stacking energy: -141.242
Base-Backbone interact. energy: -0.204
local terms energy: -146.696064
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -30.150
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -42.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -520.980646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.980646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.980646 (E_RNA)
where:
Base-Base interactions energy: -382.334
where: short stacking energy: -148.925
Base-Backbone interact. energy: -0.002
local terms energy: -138.644842
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -45.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -520.279934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.279934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.279934 (E_RNA)
where:
Base-Base interactions energy: -364.192
where: short stacking energy: -136.715
Base-Backbone interact. energy: -0.014
local terms energy: -156.074016
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -29.593
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -43.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -508.334405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.334405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.334405 (E_RNA)
where:
Base-Base interactions energy: -366.355
where: short stacking energy: -141.557
Base-Backbone interact. energy: -0.001
local terms energy: -141.978403
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -44.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -484.584589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.584589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.584589 (E_RNA)
where:
Base-Base interactions energy: -349.075
where: short stacking energy: -135.160
Base-Backbone interact. energy: -0.101
local terms energy: -135.408747
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -41.027
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: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -436.479333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.479333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.479333 (E_RNA)
where:
Base-Base interactions energy: -313.134
where: short stacking energy: -115.202
Base-Backbone interact. energy: -0.376
local terms energy: -123.299101
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -28.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.330 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -397.091655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.091655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.091655 (E_RNA)
where:
Base-Base interactions energy: -290.307
where: short stacking energy: -105.980
Base-Backbone interact. energy: -0.129
local terms energy: -106.655581
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -29.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -151.878106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.878106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.878106 (E_RNA)
where:
Base-Base interactions energy: -85.073
where: short stacking energy: -24.841
Base-Backbone interact. energy: -0.642
local terms energy: -66.539628
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: 7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.376 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -545.978155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.978155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.978155 (E_RNA)
where:
Base-Base interactions energy: -389.074
where: short stacking energy: -154.210
Base-Backbone interact. energy: -0.004
local terms energy: -156.900288
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -48.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -535.639666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.639666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.639666 (E_RNA)
where:
Base-Base interactions energy: -388.830
where: short stacking energy: -148.485
Base-Backbone interact. energy: -0.002
local terms energy: -146.807505
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -44.765
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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -530.663790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.663790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.663790 (E_RNA)
where:
Base-Base interactions energy: -379.166
where: short stacking energy: -147.503
Base-Backbone interact. energy: -0.589
local terms energy: -150.908830
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -47.690
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: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -514.909760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.909760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.909760 (E_RNA)
where:
Base-Base interactions energy: -370.862
where: short stacking energy: -141.111
Base-Backbone interact. energy: 0.908
local terms energy: -144.956313
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -29.212
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -519.220289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.220289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.220289 (E_RNA)
where:
Base-Base interactions energy: -367.287
where: short stacking energy: -138.987
Base-Backbone interact. energy: -0.003
local terms energy: -151.931183
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -27.427
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -46.554
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: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -506.098911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.098911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.098911 (E_RNA)
where:
Base-Base interactions energy: -363.816
where: short stacking energy: -136.625
Base-Backbone interact. energy: -0.121
local terms energy: -142.161578
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -42.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -490.774849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.774849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.774849 (E_RNA)
where:
Base-Base interactions energy: -346.740
where: short stacking energy: -138.916
Base-Backbone interact. energy: -0.577
local terms energy: -143.457495
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -42.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -417.895897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.895897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.895897 (E_RNA)
where:
Base-Base interactions energy: -310.149
where: short stacking energy: -117.463
Base-Backbone interact. energy: -0.166
local terms energy: -107.580499
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -31.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -424.726375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.726375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.726375 (E_RNA)
where:
Base-Base interactions energy: -288.872
where: short stacking energy: -117.691
Base-Backbone interact. energy: -0.086
local terms energy: -135.769289
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -39.203
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: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -128.217133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.217133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.217133 (E_RNA)
where:
Base-Base interactions energy: -43.448
where: short stacking energy: -38.436
Base-Backbone interact. energy: -0.143
local terms energy: -84.626153
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -556.545692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.545692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.545692 (E_RNA)
where:
Base-Base interactions energy: -396.310
where: short stacking energy: -154.939
Base-Backbone interact. energy: -0.000
local terms energy: -161.315418
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -26.732
tors. eta vs tors. theta energy: -47.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.080 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -543.914645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.914645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.914645 (E_RNA)
where:
Base-Base interactions energy: -386.677
where: short stacking energy: -148.218
Base-Backbone interact. energy: -0.000
local terms energy: -157.237857
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -31.611
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -47.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -526.450037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.450037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.450037 (E_RNA)
where:
Base-Base interactions energy: -378.273
where: short stacking energy: -148.450
Base-Backbone interact. energy: -0.046
local terms energy: -150.703613
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -47.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.573 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -526.436271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.436271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.436271 (E_RNA)
where:
Base-Base interactions energy: -392.425
where: short stacking energy: -150.722
Base-Backbone interact. energy: -0.000
local terms energy: -134.011504
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -512.159093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.159093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.159093 (E_RNA)
where:
Base-Base interactions energy: -366.356
where: short stacking energy: -135.981
Base-Backbone interact. energy: -0.577
local terms energy: -146.572116
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -47.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.346 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -516.191321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.191321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.191321 (E_RNA)
where:
Base-Base interactions energy: -380.056
where: short stacking energy: -144.897
Base-Backbone interact. energy: -0.281
local terms energy: -136.379049
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -30.652
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -46.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.525 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -489.993808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.993808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.993808 (E_RNA)
where:
Base-Base interactions energy: -348.373
where: short stacking energy: -137.937
Base-Backbone interact. energy: -0.388
local terms energy: -141.232952
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -28.632
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -46.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -422.903388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.903388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.903388 (E_RNA)
where:
Base-Base interactions energy: -301.789
where: short stacking energy: -115.520
Base-Backbone interact. energy: -0.242
local terms energy: -120.872114
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -37.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -410.308296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.308296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.308296 (E_RNA)
where:
Base-Base interactions energy: -299.513
where: short stacking energy: -115.670
Base-Backbone interact. energy: 0.423
local terms energy: -111.219050
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -32.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -123.186716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.186716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.186716 (E_RNA)
where:
Base-Base interactions energy: -37.470
where: short stacking energy: -34.321
Base-Backbone interact. energy: -0.292
local terms energy: -85.664728
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -16.499
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: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -542.157137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.157137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.157137 (E_RNA)
where:
Base-Base interactions energy: -388.681
where: short stacking energy: -147.205
Base-Backbone interact. energy: -0.001
local terms energy: -153.474878
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -50.573
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: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -543.858424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.858424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.858424 (E_RNA)
where:
Base-Base interactions energy: -384.962
where: short stacking energy: -149.661
Base-Backbone interact. energy: -0.004
local terms energy: -158.892564
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -31.038
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: -46.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -515.310661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.310661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.310661 (E_RNA)
where:
Base-Base interactions energy: -365.620
where: short stacking energy: -142.424
Base-Backbone interact. energy: -0.008
local terms energy: -150.079676
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -42.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -522.537437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.537437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.537437 (E_RNA)
where:
Base-Base interactions energy: -376.932
where: short stacking energy: -149.295
Base-Backbone interact. energy: -0.002
local terms energy: -145.603463
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -45.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -511.194286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.194286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.194286 (E_RNA)
where:
Base-Base interactions energy: -367.360
where: short stacking energy: -141.669
Base-Backbone interact. energy: -0.001
local terms energy: -144.108982
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -31.007
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -44.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.275 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -525.088796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.088796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.088796 (E_RNA)
where:
Base-Base interactions energy: -369.949
where: short stacking energy: -140.017
Base-Backbone interact. energy: -0.001
local terms energy: -155.188566
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -47.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.049 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -514.428337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.428337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.428337 (E_RNA)
where:
Base-Base interactions energy: -371.423
where: short stacking energy: -138.293
Base-Backbone interact. energy: -0.012
local terms energy: -142.994064
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -44.174
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: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -437.936111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.936111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.936111 (E_RNA)
where:
Base-Base interactions energy: -307.937
where: short stacking energy: -120.326
Base-Backbone interact. energy: -0.006
local terms energy: -129.992578
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -37.033
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: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -430.783591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.783591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.783591 (E_RNA)
where:
Base-Base interactions energy: -300.520
where: short stacking energy: -117.507
Base-Backbone interact. energy: -0.006
local terms energy: -130.256888
where:
bonds (distance) C4'-P energy: -27.977
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -38.518
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: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -110.333774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.333774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.333774 (E_RNA)
where:
Base-Base interactions energy: -46.934
where: short stacking energy: -32.269
Base-Backbone interact. energy: -0.756
local terms energy: -62.643775
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -0.986
tors. eta vs tors. theta energy: 5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -549.367261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.367261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.367261 (E_RNA)
where:
Base-Base interactions energy: -388.696
where: short stacking energy: -152.929
Base-Backbone interact. energy: -0.000
local terms energy: -160.670630
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -45.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -530.767475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.767475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.767475 (E_RNA)
where:
Base-Base interactions energy: -384.705
where: short stacking energy: -139.966
Base-Backbone interact. energy: -0.292
local terms energy: -149.252110
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -46.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.482 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -530.343330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.343330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.343330 (E_RNA)
where:
Base-Base interactions energy: -385.903
where: short stacking energy: -149.389
Base-Backbone interact. energy: -0.001
local terms energy: -144.439579
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -29.293
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -45.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -501.577443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.577443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.577443 (E_RNA)
where:
Base-Base interactions energy: -358.746
where: short stacking energy: -145.672
Base-Backbone interact. energy: -0.069
local terms energy: -143.411943
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -44.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.650 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -509.209579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.209579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.209579 (E_RNA)
where:
Base-Base interactions energy: -362.454
where: short stacking energy: -144.645
Base-Backbone interact. energy: -0.001
local terms energy: -146.754820
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -45.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -503.154717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.154717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.154717 (E_RNA)
where:
Base-Base interactions energy: -366.782
where: short stacking energy: -138.204
Base-Backbone interact. energy: -0.004
local terms energy: -136.368750
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -45.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -487.165260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.165260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.165260 (E_RNA)
where:
Base-Base interactions energy: -350.168
where: short stacking energy: -139.149
Base-Backbone interact. energy: -0.050
local terms energy: -136.947640
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -44.464
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: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -420.608969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.608969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.608969 (E_RNA)
where:
Base-Base interactions energy: -295.180
where: short stacking energy: -107.448
Base-Backbone interact. energy: -0.224
local terms energy: -125.726849
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.522 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -412.504435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.504435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.504435 (E_RNA)
where:
Base-Base interactions energy: -303.216
where: short stacking energy: -120.484
Base-Backbone interact. energy: -0.283
local terms energy: -109.005729
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -34.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -139.123033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.123033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.123033 (E_RNA)
where:
Base-Base interactions energy: -56.948
where: short stacking energy: -35.441
Base-Backbone interact. energy: -0.387
local terms energy: -81.787701
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -538.672719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.672719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.672719 (E_RNA)
where:
Base-Base interactions energy: -388.865
where: short stacking energy: -150.156
Base-Backbone interact. energy: -0.239
local terms energy: -149.569170
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -45.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -539.722495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.722495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.722495 (E_RNA)
where:
Base-Base interactions energy: -385.317
where: short stacking energy: -150.806
Base-Backbone interact. energy: -0.001
local terms energy: -154.404826
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -45.035
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: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -529.664016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.664016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.664016 (E_RNA)
where:
Base-Base interactions energy: -380.678
where: short stacking energy: -145.428
Base-Backbone interact. energy: -0.003
local terms energy: -150.205422
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -26.907
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -47.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.222 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -523.352718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.352718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.352718 (E_RNA)
where:
Base-Base interactions energy: -374.185
where: short stacking energy: -140.714
Base-Backbone interact. energy: -0.593
local terms energy: -148.574811
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -45.775
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: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -510.119558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.119558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.119558 (E_RNA)
where:
Base-Base interactions energy: -369.278
where: short stacking energy: -143.473
Base-Backbone interact. energy: -0.001
local terms energy: -141.450822
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -43.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.611 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -513.163519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.163519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.163519 (E_RNA)
where:
Base-Base interactions energy: -364.888
where: short stacking energy: -139.356
Base-Backbone interact. energy: -0.602
local terms energy: -147.673205
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -46.498
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: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -500.617599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.617599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.617599 (E_RNA)
where:
Base-Base interactions energy: -360.590
where: short stacking energy: -139.860
Base-Backbone interact. energy: -0.250
local terms energy: -139.777854
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -43.654
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: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -417.837364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.837364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.837364 (E_RNA)
where:
Base-Base interactions energy: -295.795
where: short stacking energy: -121.968
Base-Backbone interact. energy: 2.124
local terms energy: -124.166357
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -33.961
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: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -354.172979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.172979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.172979 (E_RNA)
where:
Base-Base interactions energy: -248.798
where: short stacking energy: -94.048
Base-Backbone interact. energy: -0.053
local terms energy: -105.717513
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -25.985
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.395 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -132.000431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.000431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.000431 (E_RNA)
where:
Base-Base interactions energy: -49.781
where: short stacking energy: -36.910
Base-Backbone interact. energy: 0.938
local terms energy: -83.157002
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -9.281
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: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -542.404430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.404430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.404430 (E_RNA)
where:
Base-Base interactions energy: -393.659
where: short stacking energy: -153.208
Base-Backbone interact. energy: -0.001
local terms energy: -148.744641
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -42.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -539.150863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.150863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.150863 (E_RNA)
where:
Base-Base interactions energy: -389.029
where: short stacking energy: -150.969
Base-Backbone interact. energy: -0.002
local terms energy: -150.119492
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -28.561
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -44.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -531.993674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.993674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.993674 (E_RNA)
where:
Base-Base interactions energy: -376.818
where: short stacking energy: -142.307
Base-Backbone interact. energy: -0.291
local terms energy: -154.884346
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -45.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -529.015881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.015881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.015881 (E_RNA)
where:
Base-Base interactions energy: -381.763
where: short stacking energy: -145.319
Base-Backbone interact. energy: -0.002
local terms energy: -147.250471
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -45.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -515.012070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.012070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.012070 (E_RNA)
where:
Base-Base interactions energy: -363.564
where: short stacking energy: -140.069
Base-Backbone interact. energy: -0.481
local terms energy: -151.386810
where:
bonds (distance) C4'-P energy: -30.323
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -44.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.420 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -510.586220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.586220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.586220 (E_RNA)
where:
Base-Base interactions energy: -371.832
where: short stacking energy: -141.551
Base-Backbone interact. energy: -0.179
local terms energy: -138.584708
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -43.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.009 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -474.783299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.783299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.783299 (E_RNA)
where:
Base-Base interactions energy: -342.664
where: short stacking energy: -122.047
Base-Backbone interact. energy: 1.609
local terms energy: -133.728989
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -36.622
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: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -431.163920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.163920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.163920 (E_RNA)
where:
Base-Base interactions energy: -307.384
where: short stacking energy: -117.792
Base-Backbone interact. energy: -0.005
local terms energy: -123.775287
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -39.056
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: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -425.857631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.857631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.857631 (E_RNA)
where:
Base-Base interactions energy: -302.490
where: short stacking energy: -116.773
Base-Backbone interact. energy: 2.680
local terms energy: -126.187475
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -38.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.140 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -114.011519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.011519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.011519 (E_RNA)
where:
Base-Base interactions energy: -44.305
where: short stacking energy: -33.511
Base-Backbone interact. energy: -1.266
local terms energy: -68.441048
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -544.797677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.797677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.797677 (E_RNA)
where:
Base-Base interactions energy: -387.536
where: short stacking energy: -154.785
Base-Backbone interact. energy: -0.002
local terms energy: -157.259529
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -30.637
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -46.475
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: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -546.736183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.736183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.736183 (E_RNA)
where:
Base-Base interactions energy: -391.845
where: short stacking energy: -155.149
Base-Backbone interact. energy: -0.000
local terms energy: -155.314623
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -47.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.423 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -530.302378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.302378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.302378 (E_RNA)
where:
Base-Base interactions energy: -386.281
where: short stacking energy: -144.543
Base-Backbone interact. energy: -0.003
local terms energy: -144.018831
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -45.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -531.854158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.854158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.854158 (E_RNA)
where:
Base-Base interactions energy: -377.978
where: short stacking energy: -143.605
Base-Backbone interact. energy: -0.003
local terms energy: -153.872634
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -48.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -515.020524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.020524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.020524 (E_RNA)
where:
Base-Base interactions energy: -377.395
where: short stacking energy: -144.476
Base-Backbone interact. energy: -0.115
local terms energy: -139.537274
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -46.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.026 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -499.667270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.667270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.667270 (E_RNA)
where:
Base-Base interactions energy: -368.439
where: short stacking energy: -144.202
Base-Backbone interact. energy: -0.282
local terms energy: -132.937132
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -45.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.991 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -495.165402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.165402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.165402 (E_RNA)
where:
Base-Base interactions energy: -365.010
where: short stacking energy: -144.618
Base-Backbone interact. energy: -0.007
local terms energy: -131.422912
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.274 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -402.563815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.563815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.563815 (E_RNA)
where:
Base-Base interactions energy: -291.368
where: short stacking energy: -107.034
Base-Backbone interact. energy: -0.003
local terms energy: -111.192595
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -32.767
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: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -410.682930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.682930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.682930 (E_RNA)
where:
Base-Base interactions energy: -294.201
where: short stacking energy: -116.310
Base-Backbone interact. energy: -0.135
local terms energy: -116.406453
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -36.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.060 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -152.932580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.932580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.932580 (E_RNA)
where:
Base-Base interactions energy: -79.267
where: short stacking energy: -40.343
Base-Backbone interact. energy: -1.182
local terms energy: -72.483776
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -552.692283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.692283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.692283 (E_RNA)
where:
Base-Base interactions energy: -391.089
where: short stacking energy: -153.440
Base-Backbone interact. energy: -0.002
local terms energy: -162.044049
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -27.656
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -49.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.443 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -550.857910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.857910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.857910 (E_RNA)
where:
Base-Base interactions energy: -397.100
where: short stacking energy: -157.949
Base-Backbone interact. energy: -0.001
local terms energy: -153.756742
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -46.913
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: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -538.635838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.635838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.635838 (E_RNA)
where:
Base-Base interactions energy: -381.132
where: short stacking energy: -147.009
Base-Backbone interact. energy: -0.003
local terms energy: -157.500286
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -47.574
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: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -535.574531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.574531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.574531 (E_RNA)
where:
Base-Base interactions energy: -381.259
where: short stacking energy: -146.768
Base-Backbone interact. energy: -0.001
local terms energy: -154.699695
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -46.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -518.805630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.805630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.805630 (E_RNA)
where:
Base-Base interactions energy: -373.827
where: short stacking energy: -145.807
Base-Backbone interact. energy: -0.004
local terms energy: -145.803263
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -45.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.828 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -494.642979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.642979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.642979 (E_RNA)
where:
Base-Base interactions energy: -363.482
where: short stacking energy: -143.814
Base-Backbone interact. energy: -0.002
local terms energy: -131.467099
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -41.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.308 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -483.520892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.520892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.520892 (E_RNA)
where:
Base-Base interactions energy: -350.735
where: short stacking energy: -136.949
Base-Backbone interact. energy: -0.055
local terms energy: -133.495663
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -42.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.765 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -407.498961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.498961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.498961 (E_RNA)
where:
Base-Base interactions energy: -281.220
where: short stacking energy: -114.045
Base-Backbone interact. energy: -0.607
local terms energy: -125.672250
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -36.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -422.062398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.062398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.062398 (E_RNA)
where:
Base-Base interactions energy: -302.670
where: short stacking energy: -121.868
Base-Backbone interact. energy: -0.003
local terms energy: -121.681432
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -37.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.293 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -115.272544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.272544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.272544 (E_RNA)
where:
Base-Base interactions energy: -37.013
where: short stacking energy: -33.284
Base-Backbone interact. energy: -0.231
local terms energy: -78.086670
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.057 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -545.305215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.305215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.305215 (E_RNA)
where:
Base-Base interactions energy: -391.767
where: short stacking energy: -146.577
Base-Backbone interact. energy: -0.001
local terms energy: -153.537147
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -48.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -539.813934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.813934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.813934 (E_RNA)
where:
Base-Base interactions energy: -387.535
where: short stacking energy: -151.451
Base-Backbone interact. energy: -0.001
local terms energy: -152.278715
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -47.023
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -539.439025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.439025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.439025 (E_RNA)
where:
Base-Base interactions energy: -384.082
where: short stacking energy: -147.113
Base-Backbone interact. energy: -0.001
local terms energy: -155.356381
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -32.868
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -44.274
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: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -513.006266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.006266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.006266 (E_RNA)
where:
Base-Base interactions energy: -364.598
where: short stacking energy: -142.059
Base-Backbone interact. energy: 1.056
local terms energy: -149.464378
where:
bonds (distance) C4'-P energy: -24.742
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -43.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -520.834164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.834164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.834164 (E_RNA)
where:
Base-Base interactions energy: -370.079
where: short stacking energy: -145.112
Base-Backbone interact. energy: -0.124
local terms energy: -150.630973
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -47.427
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: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -518.114327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.114327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.114327 (E_RNA)
where:
Base-Base interactions energy: -373.638
where: short stacking energy: -142.702
Base-Backbone interact. energy: -0.044
local terms energy: -144.431912
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -46.592
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: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -503.620619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.620619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.620619 (E_RNA)
where:
Base-Base interactions energy: -366.367
where: short stacking energy: -140.946
Base-Backbone interact. energy: -1.363
local terms energy: -135.890186
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -43.917
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: 423
Temperature: 1.250000
Total energy: -445.136693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.136693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.136693 (E_RNA)
where:
Base-Base interactions energy: -318.034
where: short stacking energy: -119.857
Base-Backbone interact. energy: -0.065
local terms energy: -127.037563
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -38.437
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: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -411.815931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.815931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.815931 (E_RNA)
where:
Base-Base interactions energy: -286.168
where: short stacking energy: -105.607
Base-Backbone interact. energy: -0.847
local terms energy: -124.801402
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -29.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -108.565306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.565306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.565306 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -24.668
Base-Backbone interact. energy: 0.565
local terms energy: -78.333638
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: 8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.984 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -539.992544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.992544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.992544 (E_RNA)
where:
Base-Base interactions energy: -382.148
where: short stacking energy: -151.907
Base-Backbone interact. energy: -0.609
local terms energy: -157.235706
where:
bonds (distance) C4'-P energy: -27.350
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -45.183
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: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -542.476176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.476176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.476176 (E_RNA)
where:
Base-Base interactions energy: -386.493
where: short stacking energy: -151.227
Base-Backbone interact. energy: -0.032
local terms energy: -156.336691
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -46.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -532.790293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.790293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.790293 (E_RNA)
where:
Base-Base interactions energy: -386.954
where: short stacking energy: -141.709
Base-Backbone interact. energy: -0.004
local terms energy: -145.833090
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -41.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -526.984950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.984950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.984950 (E_RNA)
where:
Base-Base interactions energy: -375.908
where: short stacking energy: -144.432
Base-Backbone interact. energy: -0.003
local terms energy: -151.074089
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -46.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -527.287619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.287619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.287619 (E_RNA)
where:
Base-Base interactions energy: -381.095
where: short stacking energy: -148.866
Base-Backbone interact. energy: -0.003
local terms energy: -148.891499
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -49.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.702 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -511.661437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.661437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.661437 (E_RNA)
where:
Base-Base interactions energy: -369.487
where: short stacking energy: -138.890
Base-Backbone interact. energy: -0.003
local terms energy: -142.170960
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -46.291
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: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -492.804455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.804455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.804455 (E_RNA)
where:
Base-Base interactions energy: -355.160
where: short stacking energy: -133.130
Base-Backbone interact. energy: -0.021
local terms energy: -138.839264
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -24.665
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -42.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.215 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -449.212550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.212550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.212550 (E_RNA)
where:
Base-Base interactions energy: -329.929
where: short stacking energy: -124.351
Base-Backbone interact. energy: -0.185
local terms energy: -119.098603
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -36.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -406.643152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.643152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.643152 (E_RNA)
where:
Base-Base interactions energy: -292.821
where: short stacking energy: -115.621
Base-Backbone interact. energy: -0.073
local terms energy: -113.879567
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -30.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -127.209129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.209129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.209129 (E_RNA)
where:
Base-Base interactions energy: -35.682
where: short stacking energy: -35.620
Base-Backbone interact. energy: -0.068
local terms energy: -91.459074
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -545.053979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.053979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.053979 (E_RNA)
where:
Base-Base interactions energy: -388.039
where: short stacking energy: -149.932
Base-Backbone interact. energy: -0.042
local terms energy: -156.973372
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -46.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -543.626949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.626949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.626949 (E_RNA)
where:
Base-Base interactions energy: -394.284
where: short stacking energy: -153.315
Base-Backbone interact. energy: -0.125
local terms energy: -149.218651
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -24.150
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -46.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -537.369655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.369655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.369655 (E_RNA)
where:
Base-Base interactions energy: -385.866
where: short stacking energy: -148.451
Base-Backbone interact. energy: -0.156
local terms energy: -151.347320
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -46.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -535.718780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.718780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.718780 (E_RNA)
where:
Base-Base interactions energy: -389.509
where: short stacking energy: -150.233
Base-Backbone interact. energy: -0.001
local terms energy: -147.413537
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -46.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.205 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -523.505830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.505830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.505830 (E_RNA)
where:
Base-Base interactions energy: -373.898
where: short stacking energy: -148.568
Base-Backbone interact. energy: -0.000
local terms energy: -149.906205
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -31.722
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -45.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.299 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -511.413574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.413574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.413574 (E_RNA)
where:
Base-Base interactions energy: -364.640
where: short stacking energy: -141.604
Base-Backbone interact. energy: -0.001
local terms energy: -146.772522
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -47.612
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: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -504.452550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.452550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.452550 (E_RNA)
where:
Base-Base interactions energy: -363.588
where: short stacking energy: -138.355
Base-Backbone interact. energy: -0.003
local terms energy: -140.861488
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -43.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -458.182230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.182230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.182230 (E_RNA)
where:
Base-Base interactions energy: -327.759
where: short stacking energy: -123.443
Base-Backbone interact. energy: -0.309
local terms energy: -130.114929
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -32.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -419.786067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.786067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.786067 (E_RNA)
where:
Base-Base interactions energy: -284.848
where: short stacking energy: -120.187
Base-Backbone interact. energy: -0.339
local terms energy: -134.598816
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -27.723
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -38.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -136.629155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.629155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.629155 (E_RNA)
where:
Base-Base interactions energy: -55.720
where: short stacking energy: -39.637
Base-Backbone interact. energy: -0.502
local terms energy: -81.923141
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.516 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -544.861992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.861992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.861992 (E_RNA)
where:
Base-Base interactions energy: -389.930
where: short stacking energy: -152.727
Base-Backbone interact. energy: -0.632
local terms energy: -154.300578
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -32.414
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -46.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -542.138540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.138540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.138540 (E_RNA)
where:
Base-Base interactions energy: -386.861
where: short stacking energy: -154.664
Base-Backbone interact. energy: -0.003
local terms energy: -155.563727
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -45.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.289 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -532.217868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.217868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.217868 (E_RNA)
where:
Base-Base interactions energy: -401.065
where: short stacking energy: -154.452
Base-Backbone interact. energy: -0.007
local terms energy: -135.104000
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -47.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.957 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -530.914176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.914176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.914176 (E_RNA)
where:
Base-Base interactions energy: -375.641
where: short stacking energy: -150.409
Base-Backbone interact. energy: -0.000
local terms energy: -155.272387
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: -45.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -520.567399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.567399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.567399 (E_RNA)
where:
Base-Base interactions energy: -370.861
where: short stacking energy: -141.391
Base-Backbone interact. energy: -0.001
local terms energy: -149.704584
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -45.607
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: 426
Temperature: 1.150000
Total energy: -509.663748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.663748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.663748 (E_RNA)
where:
Base-Base interactions energy: -374.937
where: short stacking energy: -140.379
Base-Backbone interact. energy: -0.022
local terms energy: -135.969780
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -30.203
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -45.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.265 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -495.750744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.750744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.750744 (E_RNA)
where:
Base-Base interactions energy: -358.002
where: short stacking energy: -137.912
Base-Backbone interact. energy: -0.105
local terms energy: -137.715592
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -27.666
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -40.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.072 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -458.211028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.211028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.211028 (E_RNA)
where:
Base-Base interactions energy: -328.706
where: short stacking energy: -122.948
Base-Backbone interact. energy: 1.883
local terms energy: -131.387334
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -29.094
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -39.032
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: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -398.209708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.209708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.209708 (E_RNA)
where:
Base-Base interactions energy: -279.998
where: short stacking energy: -105.875
Base-Backbone interact. energy: -0.156
local terms energy: -118.056449
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -30.982
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: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -121.121751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.121751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.121751 (E_RNA)
where:
Base-Base interactions energy: -39.459
where: short stacking energy: -37.072
Base-Backbone interact. energy: 0.104
local terms energy: -81.766281
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -25.439
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: 4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -555.387142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.387142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.387142 (E_RNA)
where:
Base-Base interactions energy: -392.282
where: short stacking energy: -156.850
Base-Backbone interact. energy: -0.004
local terms energy: -163.101363
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -48.428
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: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -537.015116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.015116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.015116 (E_RNA)
where:
Base-Base interactions energy: -382.581
where: short stacking energy: -149.777
Base-Backbone interact. energy: -0.010
local terms energy: -154.765810
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -46.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -542.878195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.878195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.878195 (E_RNA)
where:
Base-Base interactions energy: -387.063
where: short stacking energy: -148.726
Base-Backbone interact. energy: -0.000
local terms energy: -155.814668
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -28.016
tors. eta vs tors. theta energy: -45.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -523.716507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.716507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.716507 (E_RNA)
where:
Base-Base interactions energy: -377.195
where: short stacking energy: -145.436
Base-Backbone interact. energy: -0.001
local terms energy: -146.520609
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -44.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -497.157594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.157594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.157594 (E_RNA)
where:
Base-Base interactions energy: -360.072
where: short stacking energy: -136.712
Base-Backbone interact. energy: -0.152
local terms energy: -136.933157
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -38.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -515.624792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.624792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.624792 (E_RNA)
where:
Base-Base interactions energy: -372.066
where: short stacking energy: -143.321
Base-Backbone interact. energy: -0.001
local terms energy: -143.558096
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -44.210
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: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -497.670152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.670152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.670152 (E_RNA)
where:
Base-Base interactions energy: -359.318
where: short stacking energy: -141.033
Base-Backbone interact. energy: -0.172
local terms energy: -138.180197
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: -43.197
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: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -465.945687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.945687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.945687 (E_RNA)
where:
Base-Base interactions energy: -333.063
where: short stacking energy: -121.287
Base-Backbone interact. energy: -0.694
local terms energy: -132.188285
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: -34.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -431.983763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.983763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.983763 (E_RNA)
where:
Base-Base interactions energy: -314.286
where: short stacking energy: -118.962
Base-Backbone interact. energy: 0.382
local terms energy: -118.079673
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -33.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -111.898828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.898828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.898828 (E_RNA)
where:
Base-Base interactions energy: -36.523
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.572
local terms energy: -74.803519
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -8.570
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: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -541.822461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.822461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.822461 (E_RNA)
where:
Base-Base interactions energy: -387.296
where: short stacking energy: -151.705
Base-Backbone interact. energy: -0.006
local terms energy: -154.520450
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -46.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -540.846594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.846594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.846594 (E_RNA)
where:
Base-Base interactions energy: -390.444
where: short stacking energy: -148.685
Base-Backbone interact. energy: -0.287
local terms energy: -150.115682
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -48.641
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: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -536.977789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.977789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.977789 (E_RNA)
where:
Base-Base interactions energy: -380.113
where: short stacking energy: -146.997
Base-Backbone interact. energy: -0.575
local terms energy: -156.289416
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -46.705
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: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -521.601461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.601461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.601461 (E_RNA)
where:
Base-Base interactions energy: -385.006
where: short stacking energy: -141.857
Base-Backbone interact. energy: -0.003
local terms energy: -136.592190
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -42.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -521.094667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.094667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.094667 (E_RNA)
where:
Base-Base interactions energy: -367.805
where: short stacking energy: -144.330
Base-Backbone interact. energy: -0.045
local terms energy: -153.244902
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -29.350
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -45.777
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: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -505.672113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.672113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.672113 (E_RNA)
where:
Base-Base interactions energy: -372.965
where: short stacking energy: -147.639
Base-Backbone interact. energy: -0.004
local terms energy: -132.703235
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -44.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -496.126395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.126395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.126395 (E_RNA)
where:
Base-Base interactions energy: -355.453
where: short stacking energy: -142.759
Base-Backbone interact. energy: -0.014
local terms energy: -140.659582
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -24.342
tors. eta vs tors. theta energy: -42.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -443.481734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.481734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.481734 (E_RNA)
where:
Base-Base interactions energy: -319.967
where: short stacking energy: -123.870
Base-Backbone interact. energy: -0.106
local terms energy: -123.408526
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -34.401
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: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -419.208515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.208515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.208515 (E_RNA)
where:
Base-Base interactions energy: -297.892
where: short stacking energy: -121.317
Base-Backbone interact. energy: -0.507
local terms energy: -120.809757
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -27.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -122.454318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.454318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.454318 (E_RNA)
where:
Base-Base interactions energy: -42.372
where: short stacking energy: -35.498
Base-Backbone interact. energy: -0.286
local terms energy: -79.796296
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -12.882
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: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -545.488233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.488233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.488233 (E_RNA)
where:
Base-Base interactions energy: -390.312
where: short stacking energy: -152.013
Base-Backbone interact. energy: -0.000
local terms energy: -155.175552
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -45.155
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -534.692875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.692875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.692875 (E_RNA)
where:
Base-Base interactions energy: -388.139
where: short stacking energy: -154.108
Base-Backbone interact. energy: -0.012
local terms energy: -146.542070
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -48.227
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: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -539.480457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.480457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.480457 (E_RNA)
where:
Base-Base interactions energy: -384.409
where: short stacking energy: -139.463
Base-Backbone interact. energy: -0.004
local terms energy: -155.067239
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -47.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -525.858062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.858062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.858062 (E_RNA)
where:
Base-Base interactions energy: -379.306
where: short stacking energy: -147.694
Base-Backbone interact. energy: -0.006
local terms energy: -146.545325
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -30.568
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -45.858
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: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -510.356762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.356762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.356762 (E_RNA)
where:
Base-Base interactions energy: -370.282
where: short stacking energy: -146.637
Base-Backbone interact. energy: -0.123
local terms energy: -139.951646
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -28.302
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -503.735752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.735752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.735752 (E_RNA)
where:
Base-Base interactions energy: -362.132
where: short stacking energy: -136.107
Base-Backbone interact. energy: -0.999
local terms energy: -140.604609
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -44.827
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: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -509.940027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.940027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.940027 (E_RNA)
where:
Base-Base interactions energy: -364.780
where: short stacking energy: -139.032
Base-Backbone interact. energy: -0.033
local terms energy: -145.126916
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -45.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -440.020365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.020365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.020365 (E_RNA)
where:
Base-Base interactions energy: -304.690
where: short stacking energy: -115.074
Base-Backbone interact. energy: -0.093
local terms energy: -135.237448
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -38.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -471.362196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.362196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.362196 (E_RNA)
where:
Base-Base interactions energy: -346.849
where: short stacking energy: -132.105
Base-Backbone interact. energy: -0.048
local terms energy: -124.465175
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -38.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -116.302405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.302405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.302405 (E_RNA)
where:
Base-Base interactions energy: -52.095
where: short stacking energy: -46.610
Base-Backbone interact. energy: -0.372
local terms energy: -63.834486
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/Student_Researcher-7974c31f_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -557.163988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.163988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.163988 (E_RNA)
where:
Base-Base interactions energy: -394.013
where: short stacking energy: -155.613
Base-Backbone interact. energy: -0.000
local terms energy: -163.151069
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: -50.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -537.892901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.892901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.892901 (E_RNA)
where:
Base-Base interactions energy: -389.760
where: short stacking energy: -153.329
Base-Backbone interact. energy: -0.002
local terms energy: -148.130884
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -49.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -532.175535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.175535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.175535 (E_RNA)
where:
Base-Base interactions energy: -379.241
where: short stacking energy: -141.159
Base-Backbone interact. energy: -0.126
local terms energy: -152.808630
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -32.816
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -44.266
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: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -534.632633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.632633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.632633 (E_RNA)
where:
Base-Base interactions energy: -386.322
where: short stacking energy: -150.448
Base-Backbone interact. energy: -0.004
local terms energy: -148.306713
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -48.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -512.736691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.736691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.736691 (E_RNA)
where:
Base-Base interactions energy: -375.415
where: short stacking energy: -144.298
Base-Backbone interact. energy: -0.006
local terms energy: -137.553066
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -44.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.237 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -501.571462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.571462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.571462 (E_RNA)
where:
Base-Base interactions energy: -367.117
where: short stacking energy: -144.456
Base-Backbone interact. energy: -0.002
local terms energy: -134.452644
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -45.714
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: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -501.734859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.734859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.734859 (E_RNA)
where:
Base-Base interactions energy: -367.024
where: short stacking energy: -145.280
Base-Backbone interact. energy: -0.082
local terms energy: -134.628484
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -43.107
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: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -423.830465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.830465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.830465 (E_RNA)
where:
Base-Base interactions energy: -303.785
where: short stacking energy: -113.774
Base-Backbone interact. energy: 1.740
local terms energy: -121.785256
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -33.388
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: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -476.899650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.899650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.899650 (E_RNA)
where:
Base-Base interactions energy: -344.094
where: short stacking energy: -132.544
Base-Backbone interact. energy: -0.003
local terms energy: -132.939414
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -42.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.136 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -112.677902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.677902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.677902 (E_RNA)
where:
Base-Base interactions energy: -44.118
where: short stacking energy: -35.643
Base-Backbone interact. energy: -0.319
local terms energy: -68.241360
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -5.014
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -555.134505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.134505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.134505 (E_RNA)
where:
Base-Base interactions energy: -397.674
where: short stacking energy: -154.306
Base-Backbone interact. energy: -0.102
local terms energy: -157.535193
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -47.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.177 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -543.257669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.257669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.257669 (E_RNA)
where:
Base-Base interactions energy: -391.539
where: short stacking energy: -153.159
Base-Backbone interact. energy: -0.002
local terms energy: -154.718598
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -30.491
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -47.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.001 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -529.536102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.536102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.536102 (E_RNA)
where:
Base-Base interactions energy: -385.332
where: short stacking energy: -156.223
Base-Backbone interact. energy: -0.002
local terms energy: -144.201793
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -48.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -520.626844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.626844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.626844 (E_RNA)
where:
Base-Base interactions energy: -374.208
where: short stacking energy: -148.485
Base-Backbone interact. energy: -0.166
local terms energy: -146.252232
where:
bonds (distance) C4'-P energy: -28.193
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -44.719
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: 431
Temperature: 1.100000
Total energy: -506.762436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.762436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.762436 (E_RNA)
where:
Base-Base interactions energy: -365.605
where: short stacking energy: -137.552
Base-Backbone interact. energy: -0.005
local terms energy: -141.152138
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -42.792
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: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -502.009533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.009533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.009533 (E_RNA)
where:
Base-Base interactions energy: -367.486
where: short stacking energy: -140.970
Base-Backbone interact. energy: -0.221
local terms energy: -134.302153
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -30.396
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -44.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -479.427084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.427084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.427084 (E_RNA)
where:
Base-Base interactions energy: -341.790
where: short stacking energy: -131.503
Base-Backbone interact. energy: -0.171
local terms energy: -138.673971
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -40.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.208 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -435.216874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.216874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.216874 (E_RNA)
where:
Base-Base interactions energy: -315.437
where: short stacking energy: -117.706
Base-Backbone interact. energy: 0.273
local terms energy: -121.375803
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -36.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.323 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -429.844685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.844685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.844685 (E_RNA)
where:
Base-Base interactions energy: -313.545
where: short stacking energy: -117.498
Base-Backbone interact. energy: 1.793
local terms energy: -118.092077
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -34.311
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: 431
Temperature: 1.350000
Total energy: -116.144949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.144949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.144949 (E_RNA)
where:
Base-Base interactions energy: -36.135
where: short stacking energy: -21.964
Base-Backbone interact. energy: 0.639
local terms energy: -82.889312
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -12.639
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: 2.241 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -544.454618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.454618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.454618 (E_RNA)
where:
Base-Base interactions energy: -385.080
where: short stacking energy: -149.129
Base-Backbone interact. energy: -0.005
local terms energy: -159.394182
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -48.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.024 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -535.759711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.759711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.759711 (E_RNA)
where:
Base-Base interactions energy: -378.740
where: short stacking energy: -144.782
Base-Backbone interact. energy: -0.159
local terms energy: -157.310197
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -47.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.449 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -537.932299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.932299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.932299 (E_RNA)
where:
Base-Base interactions energy: -384.560
where: short stacking energy: -146.971
Base-Backbone interact. energy: -0.003
local terms energy: -153.368952
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -45.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -525.573525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.573525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.573525 (E_RNA)
where:
Base-Base interactions energy: -377.090
where: short stacking energy: -144.878
Base-Backbone interact. energy: -0.000
local terms energy: -148.483136
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: -45.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -521.657604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.657604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.657604 (E_RNA)
where:
Base-Base interactions energy: -379.034
where: short stacking energy: -141.668
Base-Backbone interact. energy: -0.047
local terms energy: -142.576674
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -42.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -513.520086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.520086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.520086 (E_RNA)
where:
Base-Base interactions energy: -375.310
where: short stacking energy: -146.207
Base-Backbone interact. energy: -0.129
local terms energy: -138.887996
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -48.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.807 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -450.373532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.373532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.373532 (E_RNA)
where:
Base-Base interactions energy: -324.252
where: short stacking energy: -117.653
Base-Backbone interact. energy: -1.185
local terms energy: -124.936412
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -35.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -478.772782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.772782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.772782 (E_RNA)
where:
Base-Base interactions energy: -351.766
where: short stacking energy: -141.277
Base-Backbone interact. energy: -0.003
local terms energy: -127.342966
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -42.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.339 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -457.612443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.612443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.612443 (E_RNA)
where:
Base-Base interactions energy: -325.186
where: short stacking energy: -121.920
Base-Backbone interact. energy: 0.570
local terms energy: -132.996924
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -38.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: -0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -118.098102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.098102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.098102 (E_RNA)
where:
Base-Base interactions energy: -37.895
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.650
local terms energy: -79.982504
where:
bonds (distance) C4'-P energy: -23.880
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -17.037
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: 0.429 (S_LIMSPR_RNA)
DONE
DONE